9-bromo-2-chloro-10-phenylanthracene

C20H12BrCl — CID 90194805

IUPAC9-bromo-2-chloro-10-phenylanthracene
SMILESClc1ccc2c(-c3ccccc3)c3ccccc3c(Br)c2c1
InChIInChI=1S/C20H12BrCl/c21-20-17-9-5-4-8-15(17)19(13-6-2-1-3-7-13)16-11-10-14(22)12-18(16)20/h1-12H
InChIKeyFNVPZQPXVSLOES-UHFFFAOYSA-N
MW367.67 g/mol
LogP7.08
Rot. Bonds1

About 9-bromo-2-chloro-10-phenylanthracene

9-bromo-2-chloro-10-phenylanthracene (PubChem CID 90194805) has the molecular formula C20H12BrCl and a molecular weight of 367.67 g/mol. Its IUPAC name is 9-bromo-2-chloro-10-phenylanthracene.

Molecular Properties

Compound Name9-bromo-2-chloro-10-phenylanthracene
PubChem CID90194805
Molecular FormulaC20H12BrCl
Molecular Weight367.67 g/mol
Exact Mass365.98
IUPAC Name9-bromo-2-chloro-10-phenylanthracene
SMILESClc1ccc2c(-c3ccccc3)c3ccccc3c(Br)c2c1
InChIInChI=1S/C20H12BrCl/c21-20-17-9-5-4-8-15(17)19(13-6-2-1-3-7-13)16-11-10-14(22)12-18(16)20/h1-12H
InChIKeyFNVPZQPXVSLOES-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.67
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-9,10-diphenylanthracene
CID 22247163
1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene
CID 159641805
2-(2-bromo-4-chlorophenoxy)-1,5-diphenylnaphthalene
CID 151777589
10-bromo-2-phenyl-9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene
CID 142716263
9-[4-(4-anthracen-9-ylphenyl)phenyl]-10-bromoanthracene
CID 58321112
2-bromo-4-chloro-1-phenylnaphthalene
CID 167008767
2-chloro-6,12-diphenylchrysene
CID 58501171
9-bromo-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 58194480
2-chloro-9,10-bis(4-propylphenyl)anthracene
CID 22715362
9-(7-chloro-9,9-difluorofluoren-2-yl)-10-phenylanthracene
CID 134271937
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
9-bromoanthracene;9-bromo-10-(4-phenylphenyl)anthracene;9-(4-phenylphenyl)anthracene;(4-phenylphenyl)boronic acid
CID 161175388

Frequently Asked Questions

What is the IUPAC name of 9-bromo-2-chloro-10-phenylanthracene?
The IUPAC name of 9-bromo-2-chloro-10-phenylanthracene (CID 90194805) is 9-bromo-2-chloro-10-phenylanthracene.
What is the SMILES notation for 9-bromo-2-chloro-10-phenylanthracene?
The canonical SMILES for 9-bromo-2-chloro-10-phenylanthracene is Clc1ccc2c(-c3ccccc3)c3ccccc3c(Br)c2c1.
What is the InChIKey of 9-bromo-2-chloro-10-phenylanthracene?
The InChIKey is FNVPZQPXVSLOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrCl/c21-20-17-9-5-4-8-15(17)19(13-6-2-1-3-7-13)16-11-10-14(22)12-18(16)20/h1-12H.
What are the key properties of 9-bromo-2-chloro-10-phenylanthracene?
9-bromo-2-chloro-10-phenylanthracene has a molecular weight of 367.67 g/mol, XLogP of 7.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-chloro-10-phenylanthracene is sourced from PubChem (CID 90194805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).