9,9'-Di([1,1'-biphenyl]-4-yl)-9H,9'H-3,3'-bicarbazole

C₄₈H₃₂N₂CAS 57102-51-9636.80 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄₈H₃₂N₂
Molar mass: 636.80 g/mol
Exact mass: 636.2565 Da
logP: 12.88Crippen estimate
Polar surface area: 9.9 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

57102-51-9

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=C(C=C8)C9=CC=CC=C9)C1=CC=CC=C13

InChIKey

GVEOOAAZBOGDSN-UHFFFAOYSA-N

InChI

InChI=1S/C48H32N2/c1-3-11-33(12-4-1)35-19-25-39(26-20-35)49-45-17-9-7-15-41(45)43-31-37(23-29-47(43)49)38-24-30-48-44(32-38)42-16-8-10-18-46(42)50(48)40-27-21-36(22-28-40)34-13-5-2-6-14-34/h1-32H

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Names and synonyms

1 names

9,9'-Bis([1,1'-biphenyl]-4-yl)-3,3'-bi-9H-carbazole

Work with 9,9'-Di([1,1'-biphenyl]-4-yl)-9H,9'H-3,3'-bicarbazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

9-([1,1'-Biphenyl]-4-yl)-9'-phenyl-9H,9'H-3,3'-bicarbazole1454567-05-596 % similar 9-[1,1'-Biphenyl]-3-yl-9'-phenyl-3,3'-bi-9H-carbazole1619966-75-484 % similar 9-(1,1-Bipheny)-4-yl-3-(4-bromophenyl)carbazole1028648-25-082 % similar 9-(4-Phenylphenyl)carbazole6299-16-781 % similar 4,4'-Bis(N-carbazolyl)-1,1'-biphenyl58328-31-774 % similar 3-(4-Bromophenyl)-9-phenylcarbazole1028647-93-974 % similar 9-(4-Biphenylyl)-3-bromocarbazole894791-46-974 % similar 9-([1,1'-Biphenyl]-3-yl)-9H-carbazole1221237-87-168 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

9-[1,1'-Biphenyl]-3-yl-9'-[1,1'-biphenyl]-4-yl-3,3'-bi-9H-carbazole1643479-47-3

Elsewhere

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