3,3-dipentylbenzo[g]indole

C22H29N — CID 174937884

IUPAC3,3-dipentylbenzo[g]indole
SMILESCCCCCC1(CCCCC)C=Nc2c1ccc1ccccc21
InChIInChI=1S/C22H29N/c1-3-5-9-15-22(16-10-6-4-2)17-23-21-19-12-8-7-11-18(19)13-14-20(21)22/h7-8,11-14,17H,3-6,9-10,15-16H2,1-2H3
InChIKeyOIAWRRSRWSKTBL-UHFFFAOYSA-N
MW307.48 g/mol
LogP6.95
Rot. Bonds8

About 3,3-dipentylbenzo[g]indole

3,3-dipentylbenzo[g]indole (PubChem CID 174937884) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is 3,3-dipentylbenzo[g]indole.

Molecular Properties

Compound Name3,3-dipentylbenzo[g]indole
PubChem CID174937884
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name3,3-dipentylbenzo[g]indole
SMILESCCCCCC1(CCCCC)C=Nc2c1ccc1ccccc21
InChIInChI=1S/C22H29N/c1-3-5-9-15-22(16-10-6-4-2)17-23-21-19-12-8-7-11-18(19)13-14-20(21)22/h7-8,11-14,17H,3-6,9-10,15-16H2,1-2H3
InChIKeyOIAWRRSRWSKTBL-UHFFFAOYSA-N
XLogP6.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 56.95
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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Related Compounds

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CID 174831369
heptane;phenanthrene
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9-butylacridine
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2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
CID 59129933
methoxymethane;naphthalene;pentane
CID 91431163
1,2-dibutylnaphthalene;naphthalene
CID 157292740
(2R)-1-hexadecyl-3,3-dimethylspiro[indole-2,3'-naphtho[2,3-f][1,4]benzoxazine]
CID 98326474
1-butylnaphthalene;ethane
CID 142087052
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
1-bromo-2-nonoxynaphthalene
CID 63529773

Frequently Asked Questions

What is the IUPAC name of 3,3-dipentylbenzo[g]indole?
The IUPAC name of 3,3-dipentylbenzo[g]indole (CID 174937884) is 3,3-dipentylbenzo[g]indole.
What is the SMILES notation for 3,3-dipentylbenzo[g]indole?
The canonical SMILES for 3,3-dipentylbenzo[g]indole is CCCCCC1(CCCCC)C=Nc2c1ccc1ccccc21.
What is the InChIKey of 3,3-dipentylbenzo[g]indole?
The InChIKey is OIAWRRSRWSKTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N/c1-3-5-9-15-22(16-10-6-4-2)17-23-21-19-12-8-7-11-18(19)13-14-20(21)22/h7-8,11-14,17H,3-6,9-10,15-16H2,1-2H3.
What are the key properties of 3,3-dipentylbenzo[g]indole?
3,3-dipentylbenzo[g]indole has a molecular weight of 307.48 g/mol, XLogP of 6.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dipentylbenzo[g]indole is sourced from PubChem (CID 174937884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).