1-[(3-bromophenyl)methyl]-3-[[1-[(3-bromophenyl)methyl]indol-3-yl]methyl]indole

C31H24Br2N2 — CID 15424670

IUPAC1-[(3-bromophenyl)methyl]-3-[[1-[(3-bromophenyl)methyl]indol-3-yl]methyl]indole
SMILESBrc1cccc(Cn2cc(Cc3cn(Cc4cccc(Br)c4)c4ccccc34)c3ccccc32)c1
InChIInChI=1S/C31H24Br2N2/c32-26-9-5-7-22(15-26)18-34-20-24(28-11-1-3-13-30(28)34)17-25-21-35(31-14-4-2-12-29(25)31)19-23-8-6-10-27(33)16-23/h1-16,20-21H,17-19H2
InChIKeyFRWLHFFVGXZVDU-UHFFFAOYSA-N
MW584.36 g/mol
LogP8.81
Rot. Bonds6

About 1-[(3-bromophenyl)methyl]-3-[[1-[(3-bromophenyl)methyl]indol-3-yl]methyl]indole

1-[(3-bromophenyl)methyl]-3-[[1-[(3-bromophenyl)methyl]indol-3-yl]methyl]indole (PubChem CID 15424670) has the molecular formula C31H24Br2N2 and a molecular weight of 584.36 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-3-[[1-[(3-bromophenyl)methyl]indol-3-yl]methyl]indole.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-3-[[1-[(3-bromophenyl)methyl]indol-3-yl]methyl]indole
PubChem CID15424670
Molecular FormulaC31H24Br2N2
Molecular Weight584.36 g/mol
Exact Mass582.03
IUPAC Name1-[(3-bromophenyl)methyl]-3-[[1-[(3-bromophenyl)methyl]indol-3-yl]methyl]indole
SMILESBrc1cccc(Cn2cc(Cc3cn(Cc4cccc(Br)c4)c4ccccc34)c3ccccc32)c1
InChIInChI=1S/C31H24Br2N2/c32-26-9-5-7-22(15-26)18-34-20-24(28-11-1-3-13-30(28)34)17-25-21-35(31-14-4-2-12-29(25)31)19-23-8-6-10-27(33)16-23/h1-16,20-21H,17-19H2
InChIKeyFRWLHFFVGXZVDU-UHFFFAOYSA-N
XLogP8.81
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.36
LogP ≤ 58.81
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]-3-[[1-[(3-bromophenyl)methyl]indol-3-yl]methyl]indole?
The IUPAC name of 1-[(3-bromophenyl)methyl]-3-[[1-[(3-bromophenyl)methyl]indol-3-yl]methyl]indole (CID 15424670) is 1-[(3-bromophenyl)methyl]-3-[[1-[(3-bromophenyl)methyl]indol-3-yl]methyl]indole.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-3-[[1-[(3-bromophenyl)methyl]indol-3-yl]methyl]indole?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-3-[[1-[(3-bromophenyl)methyl]indol-3-yl]methyl]indole is Brc1cccc(Cn2cc(Cc3cn(Cc4cccc(Br)c4)c4ccccc34)c3ccccc32)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-3-[[1-[(3-bromophenyl)methyl]indol-3-yl]methyl]indole?
The InChIKey is FRWLHFFVGXZVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24Br2N2/c32-26-9-5-7-22(15-26)18-34-20-24(28-11-1-3-13-30(28)34)17-25-21-35(31-14-4-2-12-29(25)31)19-23-8-6-10-27(33)16-23/h1-16,20-21H,17-19H2.
What are the key properties of 1-[(3-bromophenyl)methyl]-3-[[1-[(3-bromophenyl)methyl]indol-3-yl]methyl]indole?
1-[(3-bromophenyl)methyl]-3-[[1-[(3-bromophenyl)methyl]indol-3-yl]methyl]indole has a molecular weight of 584.36 g/mol, XLogP of 8.81, 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]-3-[[1-[(3-bromophenyl)methyl]indol-3-yl]methyl]indole is sourced from PubChem (CID 15424670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).