6-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)benzo[cd]indole

C25H25N — CID 167268999

IUPAC6-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)benzo[cd]indole
SMILESCc1cc(C)cc(C2=Nc3ccc(CC4CCCC4)c4cccc2c34)c1
InChIInChI=1S/C25H25N/c1-16-12-17(2)14-20(13-16)25-22-9-5-8-21-19(15-18-6-3-4-7-18)10-11-23(26-25)24(21)22/h5,8-14,18H,3-4,6-7,15H2,1-2H3
InChIKeyLAILYRKGBMITOW-UHFFFAOYSA-N
MW339.48 g/mol
LogP6.67
Rot. Bonds3

About 6-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)benzo[cd]indole

6-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)benzo[cd]indole (PubChem CID 167268999) has the molecular formula C25H25N and a molecular weight of 339.48 g/mol. Its IUPAC name is 6-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)benzo[cd]indole.

Molecular Properties

Compound Name6-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)benzo[cd]indole
PubChem CID167268999
Molecular FormulaC25H25N
Molecular Weight339.48 g/mol
Exact Mass339.20
IUPAC Name6-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)benzo[cd]indole
SMILESCc1cc(C)cc(C2=Nc3ccc(CC4CCCC4)c4cccc2c34)c1
InChIInChI=1S/C25H25N/c1-16-12-17(2)14-20(13-16)25-22-9-5-8-21-19(15-18-6-3-4-7-18)10-11-23(26-25)24(21)22/h5,8-14,18H,3-4,6-7,15H2,1-2H3
InChIKeyLAILYRKGBMITOW-UHFFFAOYSA-N
XLogP6.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)benzo[cd]indole?
The IUPAC name of 6-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)benzo[cd]indole (CID 167268999) is 6-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)benzo[cd]indole.
What is the SMILES notation for 6-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)benzo[cd]indole?
The canonical SMILES for 6-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)benzo[cd]indole is Cc1cc(C)cc(C2=Nc3ccc(CC4CCCC4)c4cccc2c34)c1.
What is the InChIKey of 6-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)benzo[cd]indole?
The InChIKey is LAILYRKGBMITOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N/c1-16-12-17(2)14-20(13-16)25-22-9-5-8-21-19(15-18-6-3-4-7-18)10-11-23(26-25)24(21)22/h5,8-14,18H,3-4,6-7,15H2,1-2H3.
What are the key properties of 6-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)benzo[cd]indole?
6-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)benzo[cd]indole has a molecular weight of 339.48 g/mol, XLogP of 6.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylmethyl)-2-(3,5-dimethylphenyl)benzo[cd]indole is sourced from PubChem (CID 167268999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).