7-(10,10-dimethylundecyl)benzo[c]indole

C25H35N — CID 151675464

IUPAC7-(10,10-dimethylundecyl)benzo[c]indole
SMILESCC(C)(C)CCCCCCCCCC1=CC=CC23C=CC=CC2=NC=C13
InChIInChI=1S/C25H35N/c1-24(2,3)17-11-8-6-4-5-7-9-14-21-15-13-19-25-18-12-10-16-23(25)26-20-22(21)25/h10,12-13,15-16,18-20H,4-9,11,14,17H2,1-3H3
InChIKeyQZKUAHDUZABOFW-UHFFFAOYSA-N
MW349.56 g/mol
LogP7.49
Rot. Bonds9

About 7-(10,10-dimethylundecyl)benzo[c]indole

7-(10,10-dimethylundecyl)benzo[c]indole (PubChem CID 151675464) has the molecular formula C25H35N and a molecular weight of 349.56 g/mol. Its IUPAC name is 7-(10,10-dimethylundecyl)benzo[c]indole.

Molecular Properties

Compound Name7-(10,10-dimethylundecyl)benzo[c]indole
PubChem CID151675464
Molecular FormulaC25H35N
Molecular Weight349.56 g/mol
Exact Mass349.28
IUPAC Name7-(10,10-dimethylundecyl)benzo[c]indole
SMILESCC(C)(C)CCCCCCCCCC1=CC=CC23C=CC=CC2=NC=C13
InChIInChI=1S/C25H35N/c1-24(2,3)17-11-8-6-4-5-7-9-14-21-15-13-19-25-18-12-10-16-23(25)26-20-22(21)25/h10,12-13,15-16,18-20H,4-9,11,14,17H2,1-3H3
InChIKeyQZKUAHDUZABOFW-UHFFFAOYSA-N
XLogP7.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(10,10-dimethylundecyl)benzo[c]indole?
The IUPAC name of 7-(10,10-dimethylundecyl)benzo[c]indole (CID 151675464) is 7-(10,10-dimethylundecyl)benzo[c]indole.
What is the SMILES notation for 7-(10,10-dimethylundecyl)benzo[c]indole?
The canonical SMILES for 7-(10,10-dimethylundecyl)benzo[c]indole is CC(C)(C)CCCCCCCCCC1=CC=CC23C=CC=CC2=NC=C13.
What is the InChIKey of 7-(10,10-dimethylundecyl)benzo[c]indole?
The InChIKey is QZKUAHDUZABOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N/c1-24(2,3)17-11-8-6-4-5-7-9-14-21-15-13-19-25-18-12-10-16-23(25)26-20-22(21)25/h10,12-13,15-16,18-20H,4-9,11,14,17H2,1-3H3.
What are the key properties of 7-(10,10-dimethylundecyl)benzo[c]indole?
7-(10,10-dimethylundecyl)benzo[c]indole has a molecular weight of 349.56 g/mol, XLogP of 7.49, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(10,10-dimethylundecyl)benzo[c]indole is sourced from PubChem (CID 151675464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).