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

C46H30N2O — CID 171739030

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

N-(4-carbazol-9-yl-2,3,5,6-tetradeuteriophenyl)-1,2,3,4,5,6,8,9,10-nonadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171739030) has the molecular formula C46H30N2O and a molecular weight of 643.86 g/mol. Its IUPAC name is N-(4-carbazol-9-yl-2,3,5,6-tetradeuteriophenyl)-1,2,3,4,5,6,8,9,10-nonadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

• Compound Name: N-(4-carbazol-9-yl-2,3,5,6-tetradeuteriophenyl)-1,2,3,4,5,6,8,9,10-nonadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
• PubChem CID: 171739030
• Molecular Formula: C46H30N2O
• Molecular Weight: 643.86 g/mol
• Exact Mass: 643.34
• IUPAC Name: N-(4-carbazol-9-yl-2,3,5,6-tetradeuteriophenyl)-1,2,3,4,5,6,8,9,10-nonadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
• SMILES: [2H]c1c([2H])c(N(c2c([2H])c([2H])c(-n3c4ccccc4c4ccccc43)c([2H])c2[2H])c2c([2H])c([2H])c([2H])c3oc4c5c([2H])c([2H])c([2H])c([2H])c5c([2H])c([2H])c4c23)c([2H])c([2H])c1-c1ccccc1
• InChI: InChI=1S/C46H30N2O/c1-2-11-31(12-3-1)32-21-24-34(25-22-32)47(43-19-10-20-44-45(43)40-30-23-33-13-4-5-14-37(33)46(40)49-44)35-26-28-36(29-27-35)48-41-17-8-6-15-38(41)39-16-7-9-18-42(39)48/h1-30H/i4D,5D,10D,13D,14D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D
• InChIKey: UYQFOMZRSQRMEE-KZJLCCJSSA-N
• XLogP: 12.97
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	643.86
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-(4-carbazol-9-yl-2,3,5,6-tetradeuteriophenyl)-1,2,3,4,5,6,8,9,10-nonadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 171739030) is N-(4-carbazol-9-yl-2,3,5,6-tetradeuteriophenyl)-1,2,3,4,5,6,8,9,10-nonadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

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

The canonical SMILES for N-(4-carbazol-9-yl-2,3,5,6-tetradeuteriophenyl)-1,2,3,4,5,6,8,9,10-nonadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is [2H]c1c([2H])c(N(c2c([2H])c([2H])c(-n3c4ccccc4c4ccccc43)c([2H])c2[2H])c2c([2H])c([2H])c([2H])c3oc4c5c([2H])c([2H])c([2H])c([2H])c5c([2H])c([2H])c4c23)c([2H])c([2H])c1-c1ccccc1.

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

The InChIKey is UYQFOMZRSQRMEE-KZJLCCJSSA-N. The full InChI is InChI=1S/C46H30N2O/c1-2-11-31(12-3-1)32-21-24-34(25-22-32)47(43-19-10-20-44-45(43)40-30-23-33-13-4-5-14-37(33)46(40)49-44)35-26-28-36(29-27-35)48-41-17-8-6-15-38(41)39-16-7-9-18-42(39)48/h1-30H/i4D,5D,10D,13D,14D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D.

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

N-(4-carbazol-9-yl-2,3,5,6-tetradeuteriophenyl)-1,2,3,4,5,6,8,9,10-nonadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 643.86 g/mol, XLogP of 12.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-carbazol-9-yl-2,3,5,6-tetradeuteriophenyl)-1,2,3,4,5,6,8,9,10-nonadeuterio-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171739030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).