4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8,10-nonadeuteriophenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-2-amine

C62H40N2O — CID 176607761

About 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8,10-nonadeuteriophenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-2-amine

4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8,10-nonadeuteriophenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-2-amine (PubChem CID 176607761) has the molecular formula C62H40N2O and a molecular weight of 851.15 g/mol. Its IUPAC name is 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8,10-nonadeuteriophenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-2-amine.

Molecular Properties

• Compound Name: 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8,10-nonadeuteriophenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-2-amine
• PubChem CID: 176607761
• Molecular Formula: C62H40N2O
• Molecular Weight: 851.15 g/mol
• Exact Mass: 850.45
• IUPAC Name: 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8,10-nonadeuteriophenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-2-amine
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)c4oc5ccccc5c4c3)c3c([2H])c([2H])c(-c4c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C62H40N2O/c1-2-16-41(17-3-1)42-30-34-45(35-31-42)63(46-36-32-43(33-37-46)55-38-44-18-4-5-19-48(44)49-20-6-7-21-50(49)55)47-39-56(62-57(40-47)54-25-11-15-29-61(54)65-62)53-24-10-14-28-60(53)64-58-26-12-8-22-51(58)52-23-9-13-27-59(52)64/h1-40H/i1D,2D,3D,4D,5D,6D,7D,16D,17D,18D,19D,20D,21D,30D,31D,32D,33D,34D,35D,36D,37D,38D
• InChIKey: TXQBRHXVXRTZAV-NKGOIXGYSA-N
• XLogP: 17.46
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.15
LogP ≤ 5	17.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8,10-nonadeuteriophenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-2-amine?

The IUPAC name of 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8,10-nonadeuteriophenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-2-amine (CID 176607761) is 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8,10-nonadeuteriophenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-2-amine.

What is the SMILES notation for 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8,10-nonadeuteriophenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-2-amine?

The canonical SMILES for 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8,10-nonadeuteriophenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-2-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3cc(-c4ccccc4-n4c5ccccc5c5ccccc54)c4oc5ccccc5c4c3)c3c([2H])c([2H])c(-c4c([2H])c5c([2H])c([2H])c([2H])c([2H])c5c5c([2H])c([2H])c([2H])c([2H])c45)c([2H])c3[2H])c([2H])c2[2H])c([2H])c1[2H].

What is the InChIKey of 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8,10-nonadeuteriophenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-2-amine?

The InChIKey is TXQBRHXVXRTZAV-NKGOIXGYSA-N. The full InChI is InChI=1S/C62H40N2O/c1-2-16-41(17-3-1)42-30-34-45(35-31-42)63(46-36-32-43(33-37-46)55-38-44-18-4-5-19-48(44)49-20-6-7-21-50(49)55)47-39-56(62-57(40-47)54-25-11-15-29-61(54)65-62)53-24-10-14-28-60(53)64-58-26-12-8-22-51(58)52-23-9-13-27-59(52)64/h1-40H/i1D,2D,3D,4D,5D,6D,7D,16D,17D,18D,19D,20D,21D,30D,31D,32D,33D,34D,35D,36D,37D,38D.

What are the key properties of 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8,10-nonadeuteriophenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-2-amine?

4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8,10-nonadeuteriophenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-2-amine has a molecular weight of 851.15 g/mol, XLogP of 17.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-carbazol-9-ylphenyl)-N-[2,3,5,6-tetradeuterio-4-(1,2,3,4,5,6,7,8,10-nonadeuteriophenanthren-9-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 176607761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).