3-[(2-bromophenyl)-(1H-indol-3-yl)methyl]-1H-indole

C23H17BrN2 — CID 53469376

IUPAC3-[(2-bromophenyl)-(1H-indol-3-yl)methyl]-1H-indole
SMILESBrc1ccccc1C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C23H17BrN2/c24-20-10-4-1-9-17(20)23(18-13-25-21-11-5-2-7-15(18)21)19-14-26-22-12-6-3-8-16(19)22/h1-14,23,25-26H
InChIKeyYGKLHZKZCAXDIL-UHFFFAOYSA-N
MW401.31 g/mol
LogP6.59
Rot. Bonds3

About 3-[(2-bromophenyl)-(1H-indol-3-yl)methyl]-1H-indole

3-[(2-bromophenyl)-(1H-indol-3-yl)methyl]-1H-indole (PubChem CID 53469376) has the molecular formula C23H17BrN2 and a molecular weight of 401.31 g/mol. Its IUPAC name is 3-[(2-bromophenyl)-(1H-indol-3-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[(2-bromophenyl)-(1H-indol-3-yl)methyl]-1H-indole
PubChem CID53469376
Molecular FormulaC23H17BrN2
Molecular Weight401.31 g/mol
Exact Mass400.06
IUPAC Name3-[(2-bromophenyl)-(1H-indol-3-yl)methyl]-1H-indole
SMILESBrc1ccccc1C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C23H17BrN2/c24-20-10-4-1-9-17(20)23(18-13-25-21-11-5-2-7-15(18)21)19-14-26-22-12-6-3-8-16(19)22/h1-14,23,25-26H
InChIKeyYGKLHZKZCAXDIL-UHFFFAOYSA-N
XLogP6.59
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.31
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)-(1H-indol-3-yl)methyl]-1H-indole?
The IUPAC name of 3-[(2-bromophenyl)-(1H-indol-3-yl)methyl]-1H-indole (CID 53469376) is 3-[(2-bromophenyl)-(1H-indol-3-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[(2-bromophenyl)-(1H-indol-3-yl)methyl]-1H-indole?
The canonical SMILES for 3-[(2-bromophenyl)-(1H-indol-3-yl)methyl]-1H-indole is Brc1ccccc1C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[(2-bromophenyl)-(1H-indol-3-yl)methyl]-1H-indole?
The InChIKey is YGKLHZKZCAXDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN2/c24-20-10-4-1-9-17(20)23(18-13-25-21-11-5-2-7-15(18)21)19-14-26-22-12-6-3-8-16(19)22/h1-14,23,25-26H.
What are the key properties of 3-[(2-bromophenyl)-(1H-indol-3-yl)methyl]-1H-indole?
3-[(2-bromophenyl)-(1H-indol-3-yl)methyl]-1H-indole has a molecular weight of 401.31 g/mol, XLogP of 6.59, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)-(1H-indol-3-yl)methyl]-1H-indole is sourced from PubChem (CID 53469376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).