1-[(3-bromophenyl)methyl]-N,5-diphenyl-N-(2,4,6-trimethylphenyl)pyrrol-2-amine

C32H29BrN2 — CID 132509993

IUPAC1-[(3-bromophenyl)methyl]-N,5-diphenyl-N-(2,4,6-trimethylphenyl)pyrrol-2-amine
SMILESCc1cc(C)c(N(c2ccccc2)c2ccc(-c3ccccc3)n2Cc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C32H29BrN2/c1-23-19-24(2)32(25(3)20-23)35(29-15-8-5-9-16-29)31-18-17-30(27-12-6-4-7-13-27)34(31)22-26-11-10-14-28(33)21-26/h4-21H,22H2,1-3H3
InChIKeyVOVCYPVOVRSRQB-UHFFFAOYSA-N
MW521.50 g/mol
LogP9.36
Rot. Bonds6

About 1-[(3-bromophenyl)methyl]-N,5-diphenyl-N-(2,4,6-trimethylphenyl)pyrrol-2-amine

1-[(3-bromophenyl)methyl]-N,5-diphenyl-N-(2,4,6-trimethylphenyl)pyrrol-2-amine (PubChem CID 132509993) has the molecular formula C32H29BrN2 and a molecular weight of 521.50 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-N,5-diphenyl-N-(2,4,6-trimethylphenyl)pyrrol-2-amine.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-N,5-diphenyl-N-(2,4,6-trimethylphenyl)pyrrol-2-amine
PubChem CID132509993
Molecular FormulaC32H29BrN2
Molecular Weight521.50 g/mol
Exact Mass520.15
IUPAC Name1-[(3-bromophenyl)methyl]-N,5-diphenyl-N-(2,4,6-trimethylphenyl)pyrrol-2-amine
SMILESCc1cc(C)c(N(c2ccccc2)c2ccc(-c3ccccc3)n2Cc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C32H29BrN2/c1-23-19-24(2)32(25(3)20-23)35(29-15-8-5-9-16-29)31-18-17-30(27-12-6-4-7-13-27)34(31)22-26-11-10-14-28(33)21-26/h4-21H,22H2,1-3H3
InChIKeyVOVCYPVOVRSRQB-UHFFFAOYSA-N
XLogP9.36
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.50
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-N,5-diphenyl-N-(2,4,6-trimethylphenyl)pyrrol-2-amine?
The IUPAC name of 1-[(3-bromophenyl)methyl]-N,5-diphenyl-N-(2,4,6-trimethylphenyl)pyrrol-2-amine (CID 132509993) is 1-[(3-bromophenyl)methyl]-N,5-diphenyl-N-(2,4,6-trimethylphenyl)pyrrol-2-amine.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-N,5-diphenyl-N-(2,4,6-trimethylphenyl)pyrrol-2-amine?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-N,5-diphenyl-N-(2,4,6-trimethylphenyl)pyrrol-2-amine is Cc1cc(C)c(N(c2ccccc2)c2ccc(-c3ccccc3)n2Cc2cccc(Br)c2)c(C)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-N,5-diphenyl-N-(2,4,6-trimethylphenyl)pyrrol-2-amine?
The InChIKey is VOVCYPVOVRSRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29BrN2/c1-23-19-24(2)32(25(3)20-23)35(29-15-8-5-9-16-29)31-18-17-30(27-12-6-4-7-13-27)34(31)22-26-11-10-14-28(33)21-26/h4-21H,22H2,1-3H3.
What are the key properties of 1-[(3-bromophenyl)methyl]-N,5-diphenyl-N-(2,4,6-trimethylphenyl)pyrrol-2-amine?
1-[(3-bromophenyl)methyl]-N,5-diphenyl-N-(2,4,6-trimethylphenyl)pyrrol-2-amine has a molecular weight of 521.50 g/mol, XLogP of 9.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-N,5-diphenyl-N-(2,4,6-trimethylphenyl)pyrrol-2-amine is sourced from PubChem (CID 132509993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).