1-[bis(4-bromophenyl)-(4-phenylphenyl)methyl]-4-bromobenzene

C31H21Br3 — CID 176748708

IUPAC1-[bis(4-bromophenyl)-(4-phenylphenyl)methyl]-4-bromobenzene
SMILESBrc1ccc(C(c2ccc(Br)cc2)(c2ccc(Br)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C31H21Br3/c32-28-16-10-25(11-17-28)31(26-12-18-29(33)19-13-26,27-14-20-30(34)21-15-27)24-8-6-23(7-9-24)22-4-2-1-3-5-22/h1-21H
InChIKeyQMBOJSARPXPGNF-UHFFFAOYSA-N
MW633.22 g/mol
LogP10.02
Rot. Bonds5

About 1-[bis(4-bromophenyl)-(4-phenylphenyl)methyl]-4-bromobenzene

1-[bis(4-bromophenyl)-(4-phenylphenyl)methyl]-4-bromobenzene (PubChem CID 176748708) has the molecular formula C31H21Br3 and a molecular weight of 633.22 g/mol. Its IUPAC name is 1-[bis(4-bromophenyl)-(4-phenylphenyl)methyl]-4-bromobenzene.

Molecular Properties

Compound Name1-[bis(4-bromophenyl)-(4-phenylphenyl)methyl]-4-bromobenzene
PubChem CID176748708
Molecular FormulaC31H21Br3
Molecular Weight633.22 g/mol
Exact Mass629.92
IUPAC Name1-[bis(4-bromophenyl)-(4-phenylphenyl)methyl]-4-bromobenzene
SMILESBrc1ccc(C(c2ccc(Br)cc2)(c2ccc(Br)cc2)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C31H21Br3/c32-28-16-10-25(11-17-28)31(26-12-18-29(33)19-13-26,27-14-20-30(34)21-15-27)24-8-6-23(7-9-24)22-4-2-1-3-5-22/h1-21H
InChIKeyQMBOJSARPXPGNF-UHFFFAOYSA-N
XLogP10.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.22
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633
1-bromo-4-phenylbenzene;N-methylmethanamine
CID 66862098
4-phenyl-N-(4-phenylphenyl)-N-[4-[tris[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]methyl]phenyl]aniline
CID 90076806
1-bromo-4-(4-iodophenyl)benzene;1-bromo-4-phenylbenzene
CID 162245084
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
4-[(4-bromophenyl)-bis(4-carboxyphenyl)methyl]benzoic acid
CID 102358127
tetrakis(1-bromo-4-(4-bromophenyl)benzene) disulfide
CID 173034951
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
1-fluoro-3-[4-[[4-(3-fluorophenyl)phenyl]-diphenylmethyl]phenyl]benzene
CID 176748618
1-bromo-4-phenylbenzene;1,3-dioxolane
CID 175223614
4-(7-phenylnaphthalen-2-yl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[4-[7-(4-tritylphenyl)naphthalen-2-yl]phenyl]aniline
CID 58132060
1-[chloro-bis(4-phenylphenyl)methyl]-4-phenylbenzene
CID 14292466

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-bromophenyl)-(4-phenylphenyl)methyl]-4-bromobenzene?
The IUPAC name of 1-[bis(4-bromophenyl)-(4-phenylphenyl)methyl]-4-bromobenzene (CID 176748708) is 1-[bis(4-bromophenyl)-(4-phenylphenyl)methyl]-4-bromobenzene.
What is the SMILES notation for 1-[bis(4-bromophenyl)-(4-phenylphenyl)methyl]-4-bromobenzene?
The canonical SMILES for 1-[bis(4-bromophenyl)-(4-phenylphenyl)methyl]-4-bromobenzene is Brc1ccc(C(c2ccc(Br)cc2)(c2ccc(Br)cc2)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[bis(4-bromophenyl)-(4-phenylphenyl)methyl]-4-bromobenzene?
The InChIKey is QMBOJSARPXPGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21Br3/c32-28-16-10-25(11-17-28)31(26-12-18-29(33)19-13-26,27-14-20-30(34)21-15-27)24-8-6-23(7-9-24)22-4-2-1-3-5-22/h1-21H.
What are the key properties of 1-[bis(4-bromophenyl)-(4-phenylphenyl)methyl]-4-bromobenzene?
1-[bis(4-bromophenyl)-(4-phenylphenyl)methyl]-4-bromobenzene has a molecular weight of 633.22 g/mol, XLogP of 10.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-bromophenyl)-(4-phenylphenyl)methyl]-4-bromobenzene is sourced from PubChem (CID 176748708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).