4-methyl-3,3-diphenyl-1,2-dihydrocyclopenta[b]indole

C24H21N — CID 3692587

IUPAC4-methyl-3,3-diphenyl-1,2-dihydrocyclopenta[b]indole
SMILESCn1c2c(c3ccccc31)CCC2(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21N/c1-25-22-15-9-8-14-20(22)21-16-17-24(23(21)25,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15H,16-17H2,1H3
InChIKeyTYRKLQWYNCDFIB-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.46
Rot. Bonds2

About 4-methyl-3,3-diphenyl-1,2-dihydrocyclopenta[b]indole

4-methyl-3,3-diphenyl-1,2-dihydrocyclopenta[b]indole (PubChem CID 3692587) has the molecular formula C24H21N and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-methyl-3,3-diphenyl-1,2-dihydrocyclopenta[b]indole.

Molecular Properties

Compound Name4-methyl-3,3-diphenyl-1,2-dihydrocyclopenta[b]indole
PubChem CID3692587
Molecular FormulaC24H21N
Molecular Weight323.44 g/mol
Exact Mass323.17
IUPAC Name4-methyl-3,3-diphenyl-1,2-dihydrocyclopenta[b]indole
SMILESCn1c2c(c3ccccc31)CCC2(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21N/c1-25-22-15-9-8-14-20(22)21-16-17-24(23(21)25,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15H,16-17H2,1H3
InChIKeyTYRKLQWYNCDFIB-UHFFFAOYSA-N
XLogP5.46
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1',4-dimethylspiro[1,2-dihydrocyclopenta[b]indole-3,4'-piperidine]
CID 22896575
1,1,9-trimethyl-3,4-dihydro-2H-pyrido[3,4-b]indole
CID 82393965
methyl (1S,2S)-1-hydroxy-9-methyl-1-phenyl-2-prop-2-ynyl-3,4-dihydrocarbazole-2-carboxylate
CID 23251690
3-[(1R)-1,9-dimethyl-3,4-dihydro-2H-carbazol-1-yl]propanoic acid
CID 129405053
ethane;bis(9-methylcarbazole)
CID 159710949
ethane;9-methylcarbazole;triphenylene
CID 142356751
4-methyl-3-(4-methylphenyl)sulfonyl-1,2-dihydropyrrolo[2,3-b]indole
CID 134957407
ethane;4-ethyl-3,3-dimethyl-1,2-dihydrocyclopenta[b]indole
CID 158823600
(1S,12bR)-1-ethyl-12,12b-dimethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizine-1-carboxylic acid;ethanesulfonic acid
CID 88632265
4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]indole
CID 82411813
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
2,9-dimethyl-3,4-dihydrocarbazole
CID 149373411

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,3-diphenyl-1,2-dihydrocyclopenta[b]indole?
The IUPAC name of 4-methyl-3,3-diphenyl-1,2-dihydrocyclopenta[b]indole (CID 3692587) is 4-methyl-3,3-diphenyl-1,2-dihydrocyclopenta[b]indole.
What is the SMILES notation for 4-methyl-3,3-diphenyl-1,2-dihydrocyclopenta[b]indole?
The canonical SMILES for 4-methyl-3,3-diphenyl-1,2-dihydrocyclopenta[b]indole is Cn1c2c(c3ccccc31)CCC2(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-methyl-3,3-diphenyl-1,2-dihydrocyclopenta[b]indole?
The InChIKey is TYRKLQWYNCDFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N/c1-25-22-15-9-8-14-20(22)21-16-17-24(23(21)25,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15H,16-17H2,1H3.
What are the key properties of 4-methyl-3,3-diphenyl-1,2-dihydrocyclopenta[b]indole?
4-methyl-3,3-diphenyl-1,2-dihydrocyclopenta[b]indole has a molecular weight of 323.44 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,3-diphenyl-1,2-dihydrocyclopenta[b]indole is sourced from PubChem (CID 3692587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).