9-[5-amino-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]carbazol-3-amine

C42H28N4O — CID 165063889

About 9-[5-amino-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]carbazol-3-amine

9-[5-amino-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]carbazol-3-amine (PubChem CID 165063889) has the molecular formula C42H28N4O and a molecular weight of 604.71 g/mol. Its IUPAC name is 9-[5-amino-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]carbazol-3-amine.

Molecular Properties

• Compound Name: 9-[5-amino-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]carbazol-3-amine
• PubChem CID: 165063889
• Molecular Formula: C42H28N4O
• Molecular Weight: 604.71 g/mol
• Exact Mass: 604.23
• IUPAC Name: 9-[5-amino-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]carbazol-3-amine
• SMILES: Nc1ccc(-c2cccc3c2oc2c3ccc3c2c2ccccc2n3-c2ccccc2)c(-n2c3ccccc3c3cc(N)ccc32)c1
• InChI: InChI=1S/C42H28N4O/c43-25-18-21-37-34(23-25)28-11-4-6-15-35(28)46(37)39-24-26(44)17-19-29(39)30-13-8-14-31-32-20-22-38-40(42(32)47-41(30)31)33-12-5-7-16-36(33)45(38)27-9-2-1-3-10-27/h1-24H,43-44H2
• InChIKey: RQNCSZJRASBNSP-UHFFFAOYSA-N
• XLogP: 10.61
• TPSA: 75.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.71
LogP ≤ 5	10.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[5-amino-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]carbazol-3-amine?

The IUPAC name of 9-[5-amino-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]carbazol-3-amine (CID 165063889) is 9-[5-amino-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]carbazol-3-amine.

What is the SMILES notation for 9-[5-amino-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]carbazol-3-amine?

The canonical SMILES for 9-[5-amino-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]carbazol-3-amine is Nc1ccc(-c2cccc3c2oc2c3ccc3c2c2ccccc2n3-c2ccccc2)c(-n2c3ccccc3c3cc(N)ccc32)c1.

What is the InChIKey of 9-[5-amino-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]carbazol-3-amine?

The InChIKey is RQNCSZJRASBNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N4O/c43-25-18-21-37-34(23-25)28-11-4-6-15-35(28)46(37)39-24-26(44)17-19-29(39)30-13-8-14-31-32-20-22-38-40(42(32)47-41(30)31)33-12-5-7-16-36(33)45(38)27-9-2-1-3-10-27/h1-24H,43-44H2.

What are the key properties of 9-[5-amino-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]carbazol-3-amine?

9-[5-amino-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]carbazol-3-amine has a molecular weight of 604.71 g/mol, XLogP of 10.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-amino-2-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)phenyl]carbazol-3-amine is sourced from PubChem (CID 165063889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).