1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene

C30H21Br — CID 126764180

IUPAC1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
SMILESBrc1cccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c2)c1
InChIInChI=1S/C30H21Br/c31-30-17-7-16-29(21-30)28-15-6-14-27(20-28)26-13-5-12-25(19-26)24-11-4-10-23(18-24)22-8-2-1-3-9-22/h1-21H
InChIKeyFDECOMLLMHPFOG-UHFFFAOYSA-N
MW461.40 g/mol
LogP9.12
Rot. Bonds4

About 1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene

1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene (PubChem CID 126764180) has the molecular formula C30H21Br and a molecular weight of 461.40 g/mol. Its IUPAC name is 1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
PubChem CID126764180
Molecular FormulaC30H21Br
Molecular Weight461.40 g/mol
Exact Mass460.08
IUPAC Name1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene
SMILESBrc1cccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c2)c1
InChIInChI=1S/C30H21Br/c31-30-17-7-16-29(21-30)28-15-6-14-27(20-28)26-13-5-12-25(19-26)24-11-4-10-23(18-24)22-8-2-1-3-9-22/h1-21H
InChIKeyFDECOMLLMHPFOG-UHFFFAOYSA-N
XLogP9.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.40
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-3-phenylbenzene
CID 16449
1-bromo-3-(3-bromophenyl)-5-phenylbenzene
CID 90126090
1-bromo-3-phenylbenzene;ethane
CID 163977967
lithium;1-bromo-3-phenylbenzene;hydride
CID 174710414
1-bromo-3-phenylbenzene;1-iodo-3-phenylbenzene
CID 158985946
9-[4-(3-bromophenyl)phenyl]-10-phenylanthracene
CID 86607954
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 155758012

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene?
The IUPAC name of 1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene (CID 126764180) is 1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene.
What is the SMILES notation for 1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene?
The canonical SMILES for 1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene is Brc1cccc(-c2cccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)c2)c1.
What is the InChIKey of 1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene?
The InChIKey is FDECOMLLMHPFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21Br/c31-30-17-7-16-29(21-30)28-15-6-14-27(20-28)26-13-5-12-25(19-26)24-11-4-10-23(18-24)22-8-2-1-3-9-22/h1-21H.
What are the key properties of 1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene?
1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene has a molecular weight of 461.40 g/mol, XLogP of 9.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzene is sourced from PubChem (CID 126764180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).