4-bromo-3-[(S)-1H-indol-4-yl(phenyl)methyl]-1H-indole

C23H17BrN2 — CID 138978934

IUPAC4-bromo-3-[(S)-1H-indol-4-yl(phenyl)methyl]-1H-indole
SMILESBrc1cccc2[nH]cc([C@@H](c3ccccc3)c3cccc4[nH]ccc34)c12
InChIInChI=1S/C23H17BrN2/c24-19-9-5-11-21-23(19)18(14-26-21)22(15-6-2-1-3-7-15)17-8-4-10-20-16(17)12-13-25-20/h1-14,22,25-26H/t22-/m0/s1
InChIKeyGCCPTODXLPXRBN-QFIPXVFZSA-N
MW401.31 g/mol
LogP6.59
Rot. Bonds3

About 4-bromo-3-[(S)-1H-indol-4-yl(phenyl)methyl]-1H-indole

4-bromo-3-[(S)-1H-indol-4-yl(phenyl)methyl]-1H-indole (PubChem CID 138978934) has the molecular formula C23H17BrN2 and a molecular weight of 401.31 g/mol. Its IUPAC name is 4-bromo-3-[(S)-1H-indol-4-yl(phenyl)methyl]-1H-indole.

Molecular Properties

Compound Name4-bromo-3-[(S)-1H-indol-4-yl(phenyl)methyl]-1H-indole
PubChem CID138978934
Molecular FormulaC23H17BrN2
Molecular Weight401.31 g/mol
Exact Mass400.06
IUPAC Name4-bromo-3-[(S)-1H-indol-4-yl(phenyl)methyl]-1H-indole
SMILESBrc1cccc2[nH]cc([C@@H](c3ccccc3)c3cccc4[nH]ccc34)c12
InChIInChI=1S/C23H17BrN2/c24-19-9-5-11-21-23(19)18(14-26-21)22(15-6-2-1-3-7-15)17-8-4-10-20-16(17)12-13-25-20/h1-14,22,25-26H/t22-/m0/s1
InChIKeyGCCPTODXLPXRBN-QFIPXVFZSA-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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Related Compounds

3,3'-Diindolylmethane
CID 3071
5-Bromotryptamine
CID 77158
2-(1H-indol-3-yl)-2-phenylethan-1-amine
CID 609935
2-[2,2-bis(1H-indol-3-yl)ethyl]aniline
CID 236191
3-Indolecarboxylaldehyde, azine
CID 135400613
7-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole
CID 44479463
6-(3-benzylpyrrolidin-3-yl)-1H-indole
CID 44231009
Plakortamine B
CID 10084660
1H-Indole-3-ethanamine, N,N-bis(phenylmethyl)-
CID 45584
5-Bromo-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 2763724
3,3'-(2-pyridinylmethylene)bis-1H-indole
CID 2907031
3-((1H-Indol-2-yl)methyl)-1H-indole
CID 10900930

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(S)-1H-indol-4-yl(phenyl)methyl]-1H-indole?
The IUPAC name of 4-bromo-3-[(S)-1H-indol-4-yl(phenyl)methyl]-1H-indole (CID 138978934) is 4-bromo-3-[(S)-1H-indol-4-yl(phenyl)methyl]-1H-indole.
What is the SMILES notation for 4-bromo-3-[(S)-1H-indol-4-yl(phenyl)methyl]-1H-indole?
The canonical SMILES for 4-bromo-3-[(S)-1H-indol-4-yl(phenyl)methyl]-1H-indole is Brc1cccc2[nH]cc([C@@H](c3ccccc3)c3cccc4[nH]ccc34)c12.
What is the InChIKey of 4-bromo-3-[(S)-1H-indol-4-yl(phenyl)methyl]-1H-indole?
The InChIKey is GCCPTODXLPXRBN-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H17BrN2/c24-19-9-5-11-21-23(19)18(14-26-21)22(15-6-2-1-3-7-15)17-8-4-10-20-16(17)12-13-25-20/h1-14,22,25-26H/t22-/m0/s1.
What are the key properties of 4-bromo-3-[(S)-1H-indol-4-yl(phenyl)methyl]-1H-indole?
4-bromo-3-[(S)-1H-indol-4-yl(phenyl)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 4-bromo-3-[(S)-1H-indol-4-yl(phenyl)methyl]-1H-indole is sourced from PubChem (CID 138978934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).