N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

C52H34N2O — CID 170272106

About N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 170272106) has the molecular formula C52H34N2O and a molecular weight of 702.86 g/mol. Its IUPAC name is N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

• Compound Name: N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
• PubChem CID: 170272106
• Molecular Formula: C52H34N2O
• Molecular Weight: 702.86 g/mol
• Exact Mass: 702.27
• IUPAC Name: N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
• SMILES: c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c3cccc4oc5c6ccccc6ccc5c34)cc2)cc1
• InChI: InChI=1S/C52H34N2O/c1-3-13-35(14-4-1)36-25-29-41(30-26-36)53(49-23-12-24-50-51(49)45-31-27-37-15-7-8-20-43(37)52(45)55-50)42-19-11-16-38(33-42)39-28-32-48-46(34-39)44-21-9-10-22-47(44)54(48)40-17-5-2-6-18-40/h1-34H
• InChIKey: YRXYTUBSJOZVKG-UHFFFAOYSA-N
• XLogP: 14.64
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.86
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?

The IUPAC name of N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 170272106) is N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

What is the SMILES notation for N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?

The canonical SMILES for N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-c2ccc(N(c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)c3cccc4oc5c6ccccc6ccc5c34)cc2)cc1.

What is the InChIKey of N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?

The InChIKey is YRXYTUBSJOZVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O/c1-3-13-35(14-4-1)36-25-29-41(30-26-36)53(49-23-12-24-50-51(49)45-31-27-37-15-7-8-20-43(37)52(45)55-50)42-19-11-16-38(33-42)39-28-32-48-46(34-39)44-21-9-10-22-47(44)54(48)40-17-5-2-6-18-40/h1-34H.

What are the key properties of N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?

N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 702.86 g/mol, XLogP of 14.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 170272106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).