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

C52H34N2O — CID 171737370

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

N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,6,8,9,10-nonadeuterio-N-(2,3,4,6-tetradeuterio-5-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171737370) has the molecular formula C52H34N2O and a molecular weight of 719.96 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,6,8,9,10-nonadeuterio-N-(2,3,4,6-tetradeuterio-5-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

• Compound Name: N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,6,8,9,10-nonadeuterio-N-(2,3,4,6-tetradeuterio-5-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
• PubChem CID: 171737370
• Molecular Formula: C52H34N2O
• Molecular Weight: 719.96 g/mol
• Exact Mass: 719.37
• IUPAC Name: N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,6,8,9,10-nonadeuterio-N-(2,3,4,6-tetradeuterio-5-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
• SMILES: [2H]c1c([2H])c(-c2ccccc2)c([2H])c(N(c2c([2H])c([2H])c(-c3ccccc3-n3c4ccccc4c4ccccc43)c([2H])c2[2H])c2c([2H])c([2H])c([2H])c3oc4c5c([2H])c([2H])c([2H])c([2H])c5c([2H])c([2H])c4c23)c1[2H]
• InChI: InChI=1S/C52H34N2O/c1-2-14-35(15-3-1)38-17-12-18-40(34-38)53(49-26-13-27-50-51(49)45-33-30-36-16-4-5-20-42(36)52(45)55-50)39-31-28-37(29-32-39)41-19-6-9-23-46(41)54-47-24-10-7-21-43(47)44-22-8-11-25-48(44)54/h1-34H/i4D,5D,12D,13D,16D,17D,18D,20D,26D,27D,28D,29D,30D,31D,32D,33D,34D
• InChIKey: LAQHMJJAWVTUGM-VIMWBTGQSA-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	719.96
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,6,8,9,10-nonadeuterio-N-(2,3,4,6-tetradeuterio-5-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 171737370) is N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,6,8,9,10-nonadeuterio-N-(2,3,4,6-tetradeuterio-5-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

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

The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,6,8,9,10-nonadeuterio-N-(2,3,4,6-tetradeuterio-5-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is [2H]c1c([2H])c(-c2ccccc2)c([2H])c(N(c2c([2H])c([2H])c(-c3ccccc3-n3c4ccccc4c4ccccc43)c([2H])c2[2H])c2c([2H])c([2H])c([2H])c3oc4c5c([2H])c([2H])c([2H])c([2H])c5c([2H])c([2H])c4c23)c1[2H].

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

The InChIKey is LAQHMJJAWVTUGM-VIMWBTGQSA-N. The full InChI is InChI=1S/C52H34N2O/c1-2-14-35(15-3-1)38-17-12-18-40(34-38)53(49-26-13-27-50-51(49)45-33-30-36-16-4-5-20-42(36)52(45)55-50)39-31-28-37(29-32-39)41-19-6-9-23-46(41)54-47-24-10-7-21-43(47)44-22-8-11-25-48(44)54/h1-34H/i4D,5D,12D,13D,16D,17D,18D,20D,26D,27D,28D,29D,30D,31D,32D,33D,34D.

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

N-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,6,8,9,10-nonadeuterio-N-(2,3,4,6-tetradeuterio-5-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 719.96 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-[4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetradeuteriophenyl]-1,2,3,4,5,6,8,9,10-nonadeuterio-N-(2,3,4,6-tetradeuterio-5-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171737370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).