1,1,2,6,8-pentamethylbenzo[e]indole

C17H19N — CID 90948989

IUPAC1,1,2,6,8-pentamethylbenzo[e]indole
SMILESCC1=Nc2ccc3c(C)cc(C)cc3c2C1(C)C
InChIInChI=1S/C17H19N/c1-10-8-11(2)13-6-7-15-16(14(13)9-10)17(4,5)12(3)18-15/h6-9H,1-5H3
InChIKeySBVRYAXAZKMKHE-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.84
Rot. Bonds

About 1,1,2,6,8-pentamethylbenzo[e]indole

1,1,2,6,8-pentamethylbenzo[e]indole (PubChem CID 90948989) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 1,1,2,6,8-pentamethylbenzo[e]indole.

Molecular Properties

Compound Name1,1,2,6,8-pentamethylbenzo[e]indole
PubChem CID90948989
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name1,1,2,6,8-pentamethylbenzo[e]indole
SMILESCC1=Nc2ccc3c(C)cc(C)cc3c2C1(C)C
InChIInChI=1S/C17H19N/c1-10-8-11(2)13-6-7-15-16(14(13)9-10)17(4,5)12(3)18-15/h6-9H,1-5H3
InChIKeySBVRYAXAZKMKHE-UHFFFAOYSA-N
XLogP4.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,2,6,8-pentamethylbenzo[e]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2,6,8-pentamethylbenzo[e]indole?
The IUPAC name of 1,1,2,6,8-pentamethylbenzo[e]indole (CID 90948989) is 1,1,2,6,8-pentamethylbenzo[e]indole.
What is the SMILES notation for 1,1,2,6,8-pentamethylbenzo[e]indole?
The canonical SMILES for 1,1,2,6,8-pentamethylbenzo[e]indole is CC1=Nc2ccc3c(C)cc(C)cc3c2C1(C)C.
What is the InChIKey of 1,1,2,6,8-pentamethylbenzo[e]indole?
The InChIKey is SBVRYAXAZKMKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-10-8-11(2)13-6-7-15-16(14(13)9-10)17(4,5)12(3)18-15/h6-9H,1-5H3.
What are the key properties of 1,1,2,6,8-pentamethylbenzo[e]indole?
1,1,2,6,8-pentamethylbenzo[e]indole has a molecular weight of 237.35 g/mol, XLogP of 4.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,6,8-pentamethylbenzo[e]indole is sourced from PubChem (CID 90948989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).