1-(3-bromophenyl)-2,3,4,5-tetraphenylbenzene

C36H25Br — CID 71405867

IUPAC1-(3-bromophenyl)-2,3,4,5-tetraphenylbenzene
SMILESBrc1cccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)c1
InChIInChI=1S/C36H25Br/c37-31-23-13-22-30(24-31)33-25-32(26-14-5-1-6-15-26)34(27-16-7-2-8-17-27)36(29-20-11-4-12-21-29)35(33)28-18-9-3-10-19-28/h1-25H
InChIKeyMRSNVLFTSZWJOA-UHFFFAOYSA-N
MW537.50 g/mol
LogP10.78
Rot. Bonds5

About 1-(3-bromophenyl)-2,3,4,5-tetraphenylbenzene

1-(3-bromophenyl)-2,3,4,5-tetraphenylbenzene (PubChem CID 71405867) has the molecular formula C36H25Br and a molecular weight of 537.50 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2,3,4,5-tetraphenylbenzene.

Molecular Properties

Compound Name1-(3-bromophenyl)-2,3,4,5-tetraphenylbenzene
PubChem CID71405867
Molecular FormulaC36H25Br
Molecular Weight537.50 g/mol
Exact Mass536.11
IUPAC Name1-(3-bromophenyl)-2,3,4,5-tetraphenylbenzene
SMILESBrc1cccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)c1
InChIInChI=1S/C36H25Br/c37-31-23-13-22-30(24-31)33-25-32(26-14-5-1-6-15-26)34(27-16-7-2-8-17-27)36(29-20-11-4-12-21-29)35(33)28-18-9-3-10-19-28/h1-25H
InChIKeyMRSNVLFTSZWJOA-UHFFFAOYSA-N
XLogP10.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.50
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2,3,4,5-tetraphenylbenzene?
The IUPAC name of 1-(3-bromophenyl)-2,3,4,5-tetraphenylbenzene (CID 71405867) is 1-(3-bromophenyl)-2,3,4,5-tetraphenylbenzene.
What is the SMILES notation for 1-(3-bromophenyl)-2,3,4,5-tetraphenylbenzene?
The canonical SMILES for 1-(3-bromophenyl)-2,3,4,5-tetraphenylbenzene is Brc1cccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)c1.
What is the InChIKey of 1-(3-bromophenyl)-2,3,4,5-tetraphenylbenzene?
The InChIKey is MRSNVLFTSZWJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25Br/c37-31-23-13-22-30(24-31)33-25-32(26-14-5-1-6-15-26)34(27-16-7-2-8-17-27)36(29-20-11-4-12-21-29)35(33)28-18-9-3-10-19-28/h1-25H.
What are the key properties of 1-(3-bromophenyl)-2,3,4,5-tetraphenylbenzene?
1-(3-bromophenyl)-2,3,4,5-tetraphenylbenzene has a molecular weight of 537.50 g/mol, XLogP of 10.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2,3,4,5-tetraphenylbenzene is sourced from PubChem (CID 71405867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).