N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

C54H35NO — CID 171738658

About N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738658) has the molecular formula C54H35NO and a molecular weight of 724.95 g/mol. Its IUPAC name is N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-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-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
• PubChem CID: 171738658
• Molecular Formula: C54H35NO
• Molecular Weight: 724.95 g/mol
• Exact Mass: 724.34
• IUPAC Name: N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-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-c1c([2H])c([2H])c2c([2H])c([2H])c([2H])c([2H])c2c1[2H]
• InChI: InChI=1S/C54H35NO/c1-2-13-41-34-43(23-22-36(41)10-1)38-26-31-46(32-27-38)55(51-20-9-21-52-53(51)50-33-28-40-12-4-6-18-49(40)54(50)56-52)45-29-24-37(25-30-45)42-15-7-16-44(35-42)48-19-8-14-39-11-3-5-17-47(39)48/h1-35H/i1D,2D,10D,13D,22D,23D,26D,27D,31D,32D,34D
• InChIKey: BANWZCMOQHCFGA-ISTHZOHUSA-N
• XLogP: 15.52
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.95
LogP ≤ 5	15.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-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-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171738658) is N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-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-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-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-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-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-c1c([2H])c([2H])c2c([2H])c([2H])c([2H])c([2H])c2c1[2H].

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

The InChIKey is BANWZCMOQHCFGA-ISTHZOHUSA-N. The full InChI is InChI=1S/C54H35NO/c1-2-13-41-34-43(23-22-36(41)10-1)38-26-31-46(32-27-38)55(51-20-9-21-52-53(51)50-33-28-40-12-4-6-18-49(40)54(50)56-52)45-29-24-37(25-30-45)42-15-7-16-44(35-42)48-19-8-14-39-11-3-5-17-47(39)48/h1-35H/i1D,2D,10D,13D,22D,23D,26D,27D,31D,32D,34D.

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

N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 724.95 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 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-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).