6-N,11-N-bis(2-methylphenyl)-6-N,11-N-bis(3-methylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine

C44H36N2O — CID 90262478

About 6-N,11-N-bis(2-methylphenyl)-6-N,11-N-bis(3-methylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine

6-N,11-N-bis(2-methylphenyl)-6-N,11-N-bis(3-methylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine (PubChem CID 90262478) has the molecular formula C44H36N2O and a molecular weight of 608.79 g/mol. Its IUPAC name is 6-N,11-N-bis(2-methylphenyl)-6-N,11-N-bis(3-methylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine.

Molecular Properties

• Compound Name: 6-N,11-N-bis(2-methylphenyl)-6-N,11-N-bis(3-methylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine
• PubChem CID: 90262478
• Molecular Formula: C44H36N2O
• Molecular Weight: 608.79 g/mol
• Exact Mass: 608.28
• IUPAC Name: 6-N,11-N-bis(2-methylphenyl)-6-N,11-N-bis(3-methylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine
• SMILES: Cc1cccc(N(c2ccccc2C)c2c3ccccc3c(N(c3cccc(C)c3)c3ccccc3C)c3c2oc2ccccc23)c1
• InChI: InChI=1S/C44H36N2O/c1-29-15-13-19-33(27-29)45(38-24-10-5-17-31(38)3)42-35-21-7-8-22-36(35)43(44-41(42)37-23-9-12-26-40(37)47-44)46(34-20-14-16-30(2)28-34)39-25-11-6-18-32(39)4/h5-28H,1-4H3
• InChIKey: KYPAJWRAKARMKP-UHFFFAOYSA-N
• XLogP: 12.91
• TPSA: 19.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.79
LogP ≤ 5	12.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-N,11-N-bis(2-methylphenyl)-6-N,11-N-bis(3-methylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine?

The IUPAC name of 6-N,11-N-bis(2-methylphenyl)-6-N,11-N-bis(3-methylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine (CID 90262478) is 6-N,11-N-bis(2-methylphenyl)-6-N,11-N-bis(3-methylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine.

What is the SMILES notation for 6-N,11-N-bis(2-methylphenyl)-6-N,11-N-bis(3-methylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine?

The canonical SMILES for 6-N,11-N-bis(2-methylphenyl)-6-N,11-N-bis(3-methylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine is Cc1cccc(N(c2ccccc2C)c2c3ccccc3c(N(c3cccc(C)c3)c3ccccc3C)c3c2oc2ccccc23)c1.

What is the InChIKey of 6-N,11-N-bis(2-methylphenyl)-6-N,11-N-bis(3-methylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine?

The InChIKey is KYPAJWRAKARMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2O/c1-29-15-13-19-33(27-29)45(38-24-10-5-17-31(38)3)42-35-21-7-8-22-36(35)43(44-41(42)37-23-9-12-26-40(37)47-44)46(34-20-14-16-30(2)28-34)39-25-11-6-18-32(39)4/h5-28H,1-4H3.

What are the key properties of 6-N,11-N-bis(2-methylphenyl)-6-N,11-N-bis(3-methylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine?

6-N,11-N-bis(2-methylphenyl)-6-N,11-N-bis(3-methylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine has a molecular weight of 608.79 g/mol, XLogP of 12.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N,11-N-bis(2-methylphenyl)-6-N,11-N-bis(3-methylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine is sourced from PubChem (CID 90262478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).