1-[(3-bromophenyl)methyl]-6-[1-[(3-bromophenyl)methyl]indol-6-yl]indole

C30H22Br2N2 — CID 56851717

IUPAC1-[(3-bromophenyl)methyl]-6-[1-[(3-bromophenyl)methyl]indol-6-yl]indole
SMILESBrc1cccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(Br)c6)c5c4)cc32)c1
InChIInChI=1S/C30H22Br2N2/c31-27-5-1-3-21(15-27)19-33-13-11-23-7-9-25(17-29(23)33)26-10-8-24-12-14-34(30(24)18-26)20-22-4-2-6-28(32)16-22/h1-18H,19-20H2
InChIKeyTYMKTSCOVIWCGS-UHFFFAOYSA-N
MW570.33 g/mol
LogP8.88
Rot. Bonds5

About 1-[(3-bromophenyl)methyl]-6-[1-[(3-bromophenyl)methyl]indol-6-yl]indole

1-[(3-bromophenyl)methyl]-6-[1-[(3-bromophenyl)methyl]indol-6-yl]indole (PubChem CID 56851717) has the molecular formula C30H22Br2N2 and a molecular weight of 570.33 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-6-[1-[(3-bromophenyl)methyl]indol-6-yl]indole.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-6-[1-[(3-bromophenyl)methyl]indol-6-yl]indole
PubChem CID56851717
Molecular FormulaC30H22Br2N2
Molecular Weight570.33 g/mol
Exact Mass568.01
IUPAC Name1-[(3-bromophenyl)methyl]-6-[1-[(3-bromophenyl)methyl]indol-6-yl]indole
SMILESBrc1cccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(Br)c6)c5c4)cc32)c1
InChIInChI=1S/C30H22Br2N2/c31-27-5-1-3-21(15-27)19-33-13-11-23-7-9-25(17-29(23)33)26-10-8-24-12-14-34(30(24)18-26)20-22-4-2-6-28(32)16-22/h1-18H,19-20H2
InChIKeyTYMKTSCOVIWCGS-UHFFFAOYSA-N
XLogP8.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.33
LogP ≤ 58.88
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]-6-[1-[(3-bromophenyl)methyl]indol-6-yl]indole?
The IUPAC name of 1-[(3-bromophenyl)methyl]-6-[1-[(3-bromophenyl)methyl]indol-6-yl]indole (CID 56851717) is 1-[(3-bromophenyl)methyl]-6-[1-[(3-bromophenyl)methyl]indol-6-yl]indole.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-6-[1-[(3-bromophenyl)methyl]indol-6-yl]indole?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-6-[1-[(3-bromophenyl)methyl]indol-6-yl]indole is Brc1cccc(Cn2ccc3ccc(-c4ccc5ccn(Cc6cccc(Br)c6)c5c4)cc32)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-6-[1-[(3-bromophenyl)methyl]indol-6-yl]indole?
The InChIKey is TYMKTSCOVIWCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22Br2N2/c31-27-5-1-3-21(15-27)19-33-13-11-23-7-9-25(17-29(23)33)26-10-8-24-12-14-34(30(24)18-26)20-22-4-2-6-28(32)16-22/h1-18H,19-20H2.
What are the key properties of 1-[(3-bromophenyl)methyl]-6-[1-[(3-bromophenyl)methyl]indol-6-yl]indole?
1-[(3-bromophenyl)methyl]-6-[1-[(3-bromophenyl)methyl]indol-6-yl]indole has a molecular weight of 570.33 g/mol, XLogP of 8.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-6-[1-[(3-bromophenyl)methyl]indol-6-yl]indole is sourced from PubChem (CID 56851717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).