5-bromo-3-[(5-bromo-1H-indol-3-yl)-phenylmethyl]-1H-indole

C23H16Br2N2 — CID 44556677

IUPAC5-bromo-3-[(5-bromo-1H-indol-3-yl)-phenylmethyl]-1H-indole
SMILESBrc1ccc2[nH]cc(C(c3ccccc3)c3c[nH]c4ccc(Br)cc34)c2c1
InChIInChI=1S/C23H16Br2N2/c24-15-6-8-21-17(10-15)19(12-26-21)23(14-4-2-1-3-5-14)20-13-27-22-9-7-16(25)11-18(20)22/h1-13,23,26-27H
InChIKeySTNOGZJCJORZIB-UHFFFAOYSA-N
MW480.20 g/mol
LogP7.35
Rot. Bonds3

About 5-bromo-3-[(5-bromo-1H-indol-3-yl)-phenylmethyl]-1H-indole

5-bromo-3-[(5-bromo-1H-indol-3-yl)-phenylmethyl]-1H-indole (PubChem CID 44556677) has the molecular formula C23H16Br2N2 and a molecular weight of 480.20 g/mol. Its IUPAC name is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-phenylmethyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-phenylmethyl]-1H-indole
PubChem CID44556677
Molecular FormulaC23H16Br2N2
Molecular Weight480.20 g/mol
Exact Mass477.97
IUPAC Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-phenylmethyl]-1H-indole
SMILESBrc1ccc2[nH]cc(C(c3ccccc3)c3c[nH]c4ccc(Br)cc34)c2c1
InChIInChI=1S/C23H16Br2N2/c24-15-6-8-21-17(10-15)19(12-26-21)23(14-4-2-1-3-5-14)20-13-27-22-9-7-16(25)11-18(20)22/h1-13,23,26-27H
InChIKeySTNOGZJCJORZIB-UHFFFAOYSA-N
XLogP7.35
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.20
LogP ≤ 57.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-phenylmethyl]-1H-indole?
The IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-phenylmethyl]-1H-indole (CID 44556677) is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-phenylmethyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-phenylmethyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-phenylmethyl]-1H-indole is Brc1ccc2[nH]cc(C(c3ccccc3)c3c[nH]c4ccc(Br)cc34)c2c1.
What is the InChIKey of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-phenylmethyl]-1H-indole?
The InChIKey is STNOGZJCJORZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Br2N2/c24-15-6-8-21-17(10-15)19(12-26-21)23(14-4-2-1-3-5-14)20-13-27-22-9-7-16(25)11-18(20)22/h1-13,23,26-27H.
What are the key properties of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-phenylmethyl]-1H-indole?
5-bromo-3-[(5-bromo-1H-indol-3-yl)-phenylmethyl]-1H-indole has a molecular weight of 480.20 g/mol, XLogP of 7.35, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-phenylmethyl]-1H-indole is sourced from PubChem (CID 44556677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).