1-(3-bromophenyl)-4-(4-bromophenyl)-3-chloro-5-(3,4-dibromophenyl)-2-fluoro-6-phenylbenzene

C30H16Br4ClF — CID 140987373

IUPAC1-(3-bromophenyl)-4-(4-bromophenyl)-3-chloro-5-(3,4-dibromophenyl)-2-fluoro-6-phenylbenzene
SMILESFc1c(Cl)c(-c2ccc(Br)cc2)c(-c2ccc(Br)c(Br)c2)c(-c2ccccc2)c1-c1cccc(Br)c1
InChIInChI=1S/C30H16Br4ClF/c31-21-12-9-18(10-13-21)27-26(20-11-14-23(33)24(34)16-20)25(17-5-2-1-3-6-17)28(30(36)29(27)35)19-7-4-8-22(32)15-19/h1-16H
InChIKeyCTKMYWORVIPELE-UHFFFAOYSA-N
MW750.53 g/mol
LogP12.20
Rot. Bonds4

About 1-(3-bromophenyl)-4-(4-bromophenyl)-3-chloro-5-(3,4-dibromophenyl)-2-fluoro-6-phenylbenzene

1-(3-bromophenyl)-4-(4-bromophenyl)-3-chloro-5-(3,4-dibromophenyl)-2-fluoro-6-phenylbenzene (PubChem CID 140987373) has the molecular formula C30H16Br4ClF and a molecular weight of 750.53 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-(4-bromophenyl)-3-chloro-5-(3,4-dibromophenyl)-2-fluoro-6-phenylbenzene.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-(4-bromophenyl)-3-chloro-5-(3,4-dibromophenyl)-2-fluoro-6-phenylbenzene
PubChem CID140987373
Molecular FormulaC30H16Br4ClF
Molecular Weight750.53 g/mol
Exact Mass745.77
IUPAC Name1-(3-bromophenyl)-4-(4-bromophenyl)-3-chloro-5-(3,4-dibromophenyl)-2-fluoro-6-phenylbenzene
SMILESFc1c(Cl)c(-c2ccc(Br)cc2)c(-c2ccc(Br)c(Br)c2)c(-c2ccccc2)c1-c1cccc(Br)c1
InChIInChI=1S/C30H16Br4ClF/c31-21-12-9-18(10-13-21)27-26(20-11-14-23(33)24(34)16-20)25(17-5-2-1-3-6-17)28(30(36)29(27)35)19-7-4-8-22(32)15-19/h1-16H
InChIKeyCTKMYWORVIPELE-UHFFFAOYSA-N
XLogP12.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.53
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-(4-bromophenyl)-3-chloro-5-(3,4-dibromophenyl)-2-fluoro-6-phenylbenzene?
The IUPAC name of 1-(3-bromophenyl)-4-(4-bromophenyl)-3-chloro-5-(3,4-dibromophenyl)-2-fluoro-6-phenylbenzene (CID 140987373) is 1-(3-bromophenyl)-4-(4-bromophenyl)-3-chloro-5-(3,4-dibromophenyl)-2-fluoro-6-phenylbenzene.
What is the SMILES notation for 1-(3-bromophenyl)-4-(4-bromophenyl)-3-chloro-5-(3,4-dibromophenyl)-2-fluoro-6-phenylbenzene?
The canonical SMILES for 1-(3-bromophenyl)-4-(4-bromophenyl)-3-chloro-5-(3,4-dibromophenyl)-2-fluoro-6-phenylbenzene is Fc1c(Cl)c(-c2ccc(Br)cc2)c(-c2ccc(Br)c(Br)c2)c(-c2ccccc2)c1-c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-4-(4-bromophenyl)-3-chloro-5-(3,4-dibromophenyl)-2-fluoro-6-phenylbenzene?
The InChIKey is CTKMYWORVIPELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16Br4ClF/c31-21-12-9-18(10-13-21)27-26(20-11-14-23(33)24(34)16-20)25(17-5-2-1-3-6-17)28(30(36)29(27)35)19-7-4-8-22(32)15-19/h1-16H.
What are the key properties of 1-(3-bromophenyl)-4-(4-bromophenyl)-3-chloro-5-(3,4-dibromophenyl)-2-fluoro-6-phenylbenzene?
1-(3-bromophenyl)-4-(4-bromophenyl)-3-chloro-5-(3,4-dibromophenyl)-2-fluoro-6-phenylbenzene has a molecular weight of 750.53 g/mol, XLogP of 12.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-(4-bromophenyl)-3-chloro-5-(3,4-dibromophenyl)-2-fluoro-6-phenylbenzene is sourced from PubChem (CID 140987373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).