9-pentylcarbazole-3-carbonitrile

C18H18N2 — CID 73355624

IUPAC9-pentylcarbazole-3-carbonitrile
SMILESCCCCCn1c2ccccc2c2cc(C#N)ccc21
InChIInChI=1S/C18H18N2/c1-2-3-6-11-20-17-8-5-4-7-15(17)16-12-14(13-19)9-10-18(16)20/h4-5,7-10,12H,2-3,6,11H2,1H3
InChIKeyVWDWLEDMTULCQE-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.86
Rot. Bonds4

About 9-pentylcarbazole-3-carbonitrile

9-pentylcarbazole-3-carbonitrile (PubChem CID 73355624) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 9-pentylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name9-pentylcarbazole-3-carbonitrile
PubChem CID73355624
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name9-pentylcarbazole-3-carbonitrile
SMILESCCCCCn1c2ccccc2c2cc(C#N)ccc21
InChIInChI=1S/C18H18N2/c1-2-3-6-11-20-17-8-5-4-7-15(17)16-12-14(13-19)9-10-18(16)20/h4-5,7-10,12H,2-3,6,11H2,1H3
InChIKeyVWDWLEDMTULCQE-UHFFFAOYSA-N
XLogP4.86
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 9-pentylcarbazole-3-carbonitrile?
The IUPAC name of 9-pentylcarbazole-3-carbonitrile (CID 73355624) is 9-pentylcarbazole-3-carbonitrile.
What is the SMILES notation for 9-pentylcarbazole-3-carbonitrile?
The canonical SMILES for 9-pentylcarbazole-3-carbonitrile is CCCCCn1c2ccccc2c2cc(C#N)ccc21.
What is the InChIKey of 9-pentylcarbazole-3-carbonitrile?
The InChIKey is VWDWLEDMTULCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-2-3-6-11-20-17-8-5-4-7-15(17)16-12-14(13-19)9-10-18(16)20/h4-5,7-10,12H,2-3,6,11H2,1H3.
What are the key properties of 9-pentylcarbazole-3-carbonitrile?
9-pentylcarbazole-3-carbonitrile has a molecular weight of 262.36 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pentylcarbazole-3-carbonitrile is sourced from PubChem (CID 73355624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).