benzenecarboximidoyl 4-[3-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzenecarboximidate

C56H38N4O — CID 147193372

About benzenecarboximidoyl 4-[3-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzenecarboximidate

benzenecarboximidoyl 4-[3-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzenecarboximidate (PubChem CID 147193372) has the molecular formula C56H38N4O and a molecular weight of 782.95 g/mol. Its IUPAC name is benzenecarboximidoyl 4-[3-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzenecarboximidate.

Molecular Properties

• Compound Name: benzenecarboximidoyl 4-[3-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzenecarboximidate
• PubChem CID: 147193372
• Molecular Formula: C56H38N4O
• Molecular Weight: 782.95 g/mol
• Exact Mass: 782.30
• IUPAC Name: benzenecarboximidoyl 4-[3-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzenecarboximidate
• SMILES: [H]/N=C(\O/C(=N/[H])c1ccccc1)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc(-c7ccccc7)cc6)ccc4n5-c4ccccc4)ccc32)cc1
• InChI: InChI=1S/C56H38N4O/c57-55(40-14-6-2-7-15-40)61-56(58)41-24-29-46(30-25-41)60-51-19-11-10-18-47(51)48-35-43(27-32-52(48)60)44-28-33-54-50(36-44)49-34-42(26-31-53(49)59(54)45-16-8-3-9-17-45)39-22-20-38(21-23-39)37-12-4-1-5-13-37/h1-36,57-58H/b57-55+,58-56-
• InChIKey: CBWKNEJXXLDHNM-RIHZBRGYSA-N
• XLogP: 14.25
• TPSA: 66.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.95
LogP ≤ 5	14.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzenecarboximidoyl 4-[3-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzenecarboximidate?

The IUPAC name of benzenecarboximidoyl 4-[3-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzenecarboximidate (CID 147193372) is benzenecarboximidoyl 4-[3-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzenecarboximidate.

What is the SMILES notation for benzenecarboximidoyl 4-[3-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzenecarboximidate?

The canonical SMILES for benzenecarboximidoyl 4-[3-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzenecarboximidate is [H]/N=C(\O/C(=N/[H])c1ccccc1)c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc(-c7ccccc7)cc6)ccc4n5-c4ccccc4)ccc32)cc1.

What is the InChIKey of benzenecarboximidoyl 4-[3-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzenecarboximidate?

The InChIKey is CBWKNEJXXLDHNM-RIHZBRGYSA-N. The full InChI is InChI=1S/C56H38N4O/c57-55(40-14-6-2-7-15-40)61-56(58)41-24-29-46(30-25-41)60-51-19-11-10-18-47(51)48-35-43(27-32-52(48)60)44-28-33-54-50(36-44)49-34-42(26-31-53(49)59(54)45-16-8-3-9-17-45)39-22-20-38(21-23-39)37-12-4-1-5-13-37/h1-36,57-58H/b57-55+,58-56-.

What are the key properties of benzenecarboximidoyl 4-[3-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzenecarboximidate?

benzenecarboximidoyl 4-[3-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzenecarboximidate has a molecular weight of 782.95 g/mol, XLogP of 14.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for benzenecarboximidoyl 4-[3-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzenecarboximidate is sourced from PubChem (CID 147193372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).