9-Bromo-10-[1,1′:3′,1′′-Terphenyl]-5′-Ylanthracene

CAS: 474688-74-9 | C32H21Br

Loading 3D structure...

CAS Registry Number: 474688-74-9

Molecular Formula: C32H21Br

Molecular Mass: 485.42 g/mol

9-Bromo-10-[1,1′:3′,1′′-Terphenyl]-5′-Ylanthracene

Anthracene, 9-bromo-10-[1,1′:3′,1′′-terphenyl]-5′-yl-

9-Bromo-10-[1,1′:3′,1′′-terphenyl]-5′-ylanthracene

Brc1c2ccccc2c(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc12

InChI=1S/C32H21Br/c33-32-29-17-9-7-15-27(29)31(28-16-8-10-18-30(28)32)26-20-24(22-11-3-1-4-12-22)19-25(21-26)23-13-5-2-6-14-23/h1-21H

NMR, IR, and Mass spectral data

1H NMR

13C NMR

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	485.42 g/mol	CAS Common Chemistry
	485.42400000000015 g/mol	RDKit
	484.08266277200005 g/mol	RDKit
Canonical SMILES	BrC=1C=2C=CC=CC2C(C3=CC(=CC(=C3)C=4C=CC=CC4)C=5C=CC=CC5)=C6C=CC=CC16	CAS Common Chemistry
InChI	InChI=1S/C32H21Br/c33-32-29-17-9-7-15-27(29)31(28-16-8-10-18-30(28)32)26-20-24(22-11-3-1-4-12-22)19-25(21-26)23-13-5-2-6-14-23/h1-21H	CAS Common Chemistry
InChI Key	InChIKey=BQYDXENQXPPQLP-UHFFFAOYSA-N	CAS Common Chemistry
Name	9-Bromo-10-[1,1′:3′,1′′-terphenyl]-5′-ylanthracene	CAS Common Chemistry
Heavy Atom Count	33	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	3	RDKit
Aromatic Ring Count	6	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	9.756499999999994	RDKit
Molar Refractivity	145.46199999999976	RDKit