1,2,3,4,5,6,8,9,10-nonadeuterio-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

C50H33NO — CID 171738501

About 1,2,3,4,5,6,8,9,10-nonadeuterio-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

1,2,3,4,5,6,8,9,10-nonadeuterio-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738501) has the molecular formula C50H33NO and a molecular weight of 672.87 g/mol. Its IUPAC name is 1,2,3,4,5,6,8,9,10-nonadeuterio-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

• Compound Name: 1,2,3,4,5,6,8,9,10-nonadeuterio-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
• PubChem CID: 171738501
• Molecular Formula: C50H33NO
• Molecular Weight: 672.87 g/mol
• Exact Mass: 672.31
• IUPAC Name: 1,2,3,4,5,6,8,9,10-nonadeuterio-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
• SMILES: [2H]c1c([2H])c(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc(-c3cccc4ccccc34)cc2)c2c(oc3c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c([2H])c32)c1[2H]
• InChI: InChI=1S/C50H33NO/c1-2-10-34(11-3-1)35-20-22-36(23-21-35)37-24-29-41(30-25-37)51(42-31-26-40(27-32-42)44-17-8-14-38-12-4-6-15-43(38)44)47-18-9-19-48-49(47)46-33-28-39-13-5-7-16-45(39)50(46)52-48/h1-33H/i5D,7D,9D,13D,16D,18D,19D,28D,33D
• InChIKey: GRGVFCNVMVZYHA-HUFIOANASA-N
• XLogP: 14.36
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.87
LogP ≤ 5	14.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8,9,10-nonadeuterio-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?

The IUPAC name of 1,2,3,4,5,6,8,9,10-nonadeuterio-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171738501) is 1,2,3,4,5,6,8,9,10-nonadeuterio-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

What is the SMILES notation for 1,2,3,4,5,6,8,9,10-nonadeuterio-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?

The canonical SMILES for 1,2,3,4,5,6,8,9,10-nonadeuterio-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is [2H]c1c([2H])c(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc(-c3cccc4ccccc34)cc2)c2c(oc3c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c([2H])c32)c1[2H].

What is the InChIKey of 1,2,3,4,5,6,8,9,10-nonadeuterio-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?

The InChIKey is GRGVFCNVMVZYHA-HUFIOANASA-N. The full InChI is InChI=1S/C50H33NO/c1-2-10-34(11-3-1)35-20-22-36(23-21-35)37-24-29-41(30-25-37)51(42-31-26-40(27-32-42)44-17-8-14-38-12-4-6-15-43(38)44)47-18-9-19-48-49(47)46-33-28-39-13-5-7-16-45(39)50(46)52-48/h1-33H/i5D,7D,9D,13D,16D,18D,19D,28D,33D.

What are the key properties of 1,2,3,4,5,6,8,9,10-nonadeuterio-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?

1,2,3,4,5,6,8,9,10-nonadeuterio-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 672.87 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6,8,9,10-nonadeuterio-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).