N-(3-carbazol-9-yl-2,4,5,6-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

C46H30N2O — CID 171737444

About N-(3-carbazol-9-yl-2,4,5,6-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-(3-carbazol-9-yl-2,4,5,6-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 171737444) has the molecular formula C46H30N2O and a molecular weight of 643.86 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-2,4,5,6-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-(3-carbazol-9-yl-2,4,5,6-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: 171737444
• Molecular Formula: C46H30N2O
• Molecular Weight: 643.86 g/mol
• Exact Mass: 643.34
• IUPAC Name: N-(3-carbazol-9-yl-2,4,5,6-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([2H])c(-n3c4ccccc4c4ccccc43)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/C46H30N2O/c1-2-13-31(14-3-1)33-16-10-17-34(29-33)47(43-25-12-26-44-45(43)40-28-27-32-15-4-5-20-37(32)46(40)49-44)35-18-11-19-36(30-35)48-41-23-8-6-21-38(41)39-22-7-9-24-42(39)48/h1-30H/i4D,5D,10D,11D,12D,15D,16D,17D,18D,19D,20D,25D,26D,27D,28D,29D,30D
• InChIKey: YRBMIOUWHDYRTM-XEIBVJKBSA-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-(3-carbazol-9-yl-2,4,5,6-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-(3-carbazol-9-yl-2,4,5,6-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 171737444) is N-(3-carbazol-9-yl-2,4,5,6-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-(3-carbazol-9-yl-2,4,5,6-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-(3-carbazol-9-yl-2,4,5,6-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([2H])c(-n3c4ccccc4c4ccccc43)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-(3-carbazol-9-yl-2,4,5,6-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 YRBMIOUWHDYRTM-XEIBVJKBSA-N. The full InChI is InChI=1S/C46H30N2O/c1-2-13-31(14-3-1)33-16-10-17-34(29-33)47(43-25-12-26-44-45(43)40-28-27-32-15-4-5-20-37(32)46(40)49-44)35-18-11-19-36(30-35)48-41-23-8-6-21-38(41)39-22-7-9-24-42(39)48/h1-30H/i4D,5D,10D,11D,12D,15D,16D,17D,18D,19D,20D,25D,26D,27D,28D,29D,30D.

What are the key properties of N-(3-carbazol-9-yl-2,4,5,6-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-(3-carbazol-9-yl-2,4,5,6-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 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-(3-carbazol-9-yl-2,4,5,6-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 171737444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).