3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole

C24H20N2 — CID 25098654

IUPAC3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
SMILESCc1ccc2[nH]cc(C(c3ccccc3)c3c[nH]c4ccccc34)c2c1
InChIInChI=1S/C24H20N2/c1-16-11-12-23-19(13-16)21(15-26-23)24(17-7-3-2-4-8-17)20-14-25-22-10-6-5-9-18(20)22/h2-15,24-26H,1H3
InChIKeyPORQTBLEBJGJLI-UHFFFAOYSA-N
MW336.44 g/mol
LogP6.14
Rot. Bonds3

About 3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole

3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole (PubChem CID 25098654) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole.

Molecular Properties

Compound Name3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
PubChem CID25098654
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
SMILESCc1ccc2[nH]cc(C(c3ccccc3)c3c[nH]c4ccccc34)c2c1
InChIInChI=1S/C24H20N2/c1-16-11-12-23-19(13-16)21(15-26-23)24(17-7-3-2-4-8-17)20-14-25-22-10-6-5-9-18(20)22/h2-15,24-26H,1H3
InChIKeyPORQTBLEBJGJLI-UHFFFAOYSA-N
XLogP6.14
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

3-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-5-methyl-1H-indole
CID 135014983
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole
CID 46845933
2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole
CID 134975119
3-[(2,4-dimethoxyphenyl)-phenylmethyl]-1H-indole
CID 72701742
3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole
CID 57468591
3-[bis(1H-indol-3-yl)methyl]-6-methylchromen-4-one
CID 101432069
2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol
CID 172802738
3-[1H-indol-3-yl-(5-methyl-2-pyridinyl)methyl]-1H-indole
CID 154926412
3-[bis(4-methoxyphenyl)methyl]-1H-indole
CID 4102319
3-[(4-methoxyphenyl)-(2,4,6-trimethylphenyl)methyl]-1H-indole
CID 3705119
2-(4-benzhydrylpiperazin-1-yl)-2-(5-methyl-1H-indol-3-yl)acetic acid
CID 42652496
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318

Frequently Asked Questions

What is the IUPAC name of 3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole?
The IUPAC name of 3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole (CID 25098654) is 3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole.
What is the SMILES notation for 3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole?
The canonical SMILES for 3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole is Cc1ccc2[nH]cc(C(c3ccccc3)c3c[nH]c4ccccc34)c2c1.
What is the InChIKey of 3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole?
The InChIKey is PORQTBLEBJGJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c1-16-11-12-23-19(13-16)21(15-26-23)24(17-7-3-2-4-8-17)20-14-25-22-10-6-5-9-18(20)22/h2-15,24-26H,1H3.
What are the key properties of 3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole?
3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole has a molecular weight of 336.44 g/mol, XLogP of 6.14, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole is sourced from PubChem (CID 25098654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).