9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene

C32H21Br — CID 86607954

IUPAC9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene
SMILESBrc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)c1
InChIInChI=1S/C32H21Br/c33-26-12-8-11-25(21-26)22-17-19-24(20-18-22)32-29-15-6-4-13-27(29)31(23-9-2-1-3-10-23)28-14-5-7-16-30(28)32/h1-21H
InChIKeyPCMUOBNOKKWEPQ-UHFFFAOYSA-N
MW485.42 g/mol
LogP9.76
Rot. Bonds3

About 9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene

9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene (PubChem CID 86607954) has the molecular formula C32H21Br and a molecular weight of 485.42 g/mol. Its IUPAC name is 9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene.

Molecular Properties

Compound Name9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene
PubChem CID86607954
Molecular FormulaC32H21Br
Molecular Weight485.42 g/mol
Exact Mass484.08
IUPAC Name9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene
SMILESBrc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)c1
InChIInChI=1S/C32H21Br/c33-26-12-8-11-25(21-26)22-17-19-24(20-18-22)32-29-15-6-4-13-27(29)31(23-9-2-1-3-10-23)28-14-5-7-16-30(28)32/h1-21H
InChIKeyPCMUOBNOKKWEPQ-UHFFFAOYSA-N
XLogP9.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.42
LogP ≤ 59.76
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

1-bromo-3-phenylbenzene
CID 16449
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
CID 126764180
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
1-bromo-3-phenylbenzene;ethane
CID 163977967
lithium;1-bromo-3-phenylbenzene;hydride
CID 174710414
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
2-bromo-9,10-diphenylanthracene
CID 22247163
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 59398961
1-bromo-3-(3-bromophenyl)-5-phenylbenzene
CID 90126090

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene?
The IUPAC name of 9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene (CID 86607954) is 9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene.
What is the SMILES notation for 9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene?
The canonical SMILES for 9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene is Brc1cccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)c1.
What is the InChIKey of 9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene?
The InChIKey is PCMUOBNOKKWEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21Br/c33-26-12-8-11-25(21-26)22-17-19-24(20-18-22)32-29-15-6-4-13-27(29)31(23-9-2-1-3-10-23)28-14-5-7-16-30(28)32/h1-21H.
What are the key properties of 9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene?
9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene has a molecular weight of 485.42 g/mol, XLogP of 9.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene is sourced from PubChem (CID 86607954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).