6-cyclohexyl-N-(3-methylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

C29H27NO — CID 146579666

IUPAC6-cyclohexyl-N-(3-methylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESCc1cccc(Nc2cccc3c2oc2c(C4CCCCC4)cc4ccccc4c23)c1
InChIInChI=1S/C29H27NO/c1-19-9-7-13-22(17-19)30-26-16-8-15-24-27-23-14-6-5-12-21(23)18-25(29(27)31-28(24)26)20-10-3-2-4-11-20/h5-9,12-18,20,30H,2-4,10-11H2,1H3
InChIKeyCOBOMZMJLYAWRY-UHFFFAOYSA-N
MW405.54 g/mol
LogP8.84
Rot. Bonds3

About 6-cyclohexyl-N-(3-methylphenyl)naphtho[2,1-b][1]benzofuran-8-amine

6-cyclohexyl-N-(3-methylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (PubChem CID 146579666) has the molecular formula C29H27NO and a molecular weight of 405.54 g/mol. Its IUPAC name is 6-cyclohexyl-N-(3-methylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.

Molecular Properties

Compound Name6-cyclohexyl-N-(3-methylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
PubChem CID146579666
Molecular FormulaC29H27NO
Molecular Weight405.54 g/mol
Exact Mass405.21
IUPAC Name6-cyclohexyl-N-(3-methylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
SMILESCc1cccc(Nc2cccc3c2oc2c(C4CCCCC4)cc4ccccc4c23)c1
InChIInChI=1S/C29H27NO/c1-19-9-7-13-22(17-19)30-26-16-8-15-24-27-23-14-6-5-12-21(23)18-25(29(27)31-28(24)26)20-10-3-2-4-11-20/h5-9,12-18,20,30H,2-4,10-11H2,1H3
InChIKeyCOBOMZMJLYAWRY-UHFFFAOYSA-N
XLogP8.84
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 58.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-N-(3-methylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The IUPAC name of 6-cyclohexyl-N-(3-methylphenyl)naphtho[2,1-b][1]benzofuran-8-amine (CID 146579666) is 6-cyclohexyl-N-(3-methylphenyl)naphtho[2,1-b][1]benzofuran-8-amine.
What is the SMILES notation for 6-cyclohexyl-N-(3-methylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The canonical SMILES for 6-cyclohexyl-N-(3-methylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is Cc1cccc(Nc2cccc3c2oc2c(C4CCCCC4)cc4ccccc4c23)c1.
What is the InChIKey of 6-cyclohexyl-N-(3-methylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
The InChIKey is COBOMZMJLYAWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO/c1-19-9-7-13-22(17-19)30-26-16-8-15-24-27-23-14-6-5-12-21(23)18-25(29(27)31-28(24)26)20-10-3-2-4-11-20/h5-9,12-18,20,30H,2-4,10-11H2,1H3.
What are the key properties of 6-cyclohexyl-N-(3-methylphenyl)naphtho[2,1-b][1]benzofuran-8-amine?
6-cyclohexyl-N-(3-methylphenyl)naphtho[2,1-b][1]benzofuran-8-amine has a molecular weight of 405.54 g/mol, XLogP of 8.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-N-(3-methylphenyl)naphtho[2,1-b][1]benzofuran-8-amine is sourced from PubChem (CID 146579666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).