N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

C₆₂H₄₀N₂O — CID 171739231

About N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171739231) has the molecular formula C₆₂H₄₀N₂O and a molecular weight of 833.04 g/mol. Its IUPAC name is N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

• Compound Name: N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
• PubChem CID: 171739231
• Molecular Formula: C₆₂H₄₀N₂O
• Molecular Weight: 833.04 g/mol
• Exact Mass: 832.34
• IUPAC Name: N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
• SMILES: [2H]c1c([2H])c(N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1cccc2c1c1ccccc1n2-c1ccccc1
• InChI: InChI=1S/C62H40N2O/c1-2-19-47(20-3-1)64-56-26-9-8-23-54(56)60-52(25-12-27-57(60)64)44-32-37-49(38-33-44)63(58-28-13-29-59-61(58)55-39-34-43-15-5-7-22-53(43)62(55)65-59)48-35-30-41(31-36-48)45-17-10-18-46(40-45)51-24-11-16-42-14-4-6-21-50(42)51/h1-40H/i32D,33D,37D,38D
• InChIKey: VUVUIQBVFQQOEN-CQINYZCSSA-N
• XLogP: 17.46
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.04
LogP ≤ 5	17.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?

The IUPAC name of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171739231) is N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

What is the SMILES notation for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?

The canonical SMILES for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is [2H]c1c([2H])c(N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2cccc3oc4c5ccccc5ccc4c23)c([2H])c([2H])c1-c1cccc2c1c1ccccc1n2-c1ccccc1.

What is the InChIKey of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?

The InChIKey is VUVUIQBVFQQOEN-CQINYZCSSA-N. The full InChI is InChI=1S/C62H40N2O/c1-2-19-47(20-3-1)64-56-26-9-8-23-54(56)60-52(25-12-27-57(60)64)44-32-37-49(38-33-44)63(58-28-13-29-59-61(58)55-39-34-43-15-5-7-22-53(43)62(55)65-59)48-35-30-41(31-36-48)45-17-10-18-46(40-45)51-24-11-16-42-14-4-6-21-50(42)51/h1-40H/i32D,33D,37D,38D.

What are the key properties of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?

N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 833.04 g/mol, XLogP of 17.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171739231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171739231 — identifiers, structure, computed properties (public domain)

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