benzenecarboximidoyl 4-[2-[2-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]benzenecarboximidate

C56H39N3O — CID 143952725

About benzenecarboximidoyl 4-[2-[2-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]benzenecarboximidate

benzenecarboximidoyl 4-[2-[2-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]benzenecarboximidate (PubChem CID 143952725) has the molecular formula C56H39N3O and a molecular weight of 769.95 g/mol. Its IUPAC name is benzenecarboximidoyl 4-[2-[2-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]benzenecarboximidate.

Molecular Properties

• Compound Name: benzenecarboximidoyl 4-[2-[2-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]benzenecarboximidate
• PubChem CID: 143952725
• Molecular Formula: C56H39N3O
• Molecular Weight: 769.95 g/mol
• Exact Mass: 769.31
• IUPAC Name: benzenecarboximidoyl 4-[2-[2-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]benzenecarboximidate
• SMILES: [H]/N=C(\O/C(=N/[H])c1ccccc1)c1ccc(-c2ccccc2-c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)cc5)ccc43)cc2)cc1
• InChI: InChI=1S/C56H39N3O/c57-55(43-15-5-2-6-16-43)60-56(58)44-29-27-41(28-30-44)47-17-7-9-19-49(47)50-20-10-8-18-48(50)42-31-34-46(35-32-42)59-53-22-12-11-21-51(53)52-37-45(33-36-54(52)59)40-25-23-39(24-26-40)38-13-3-1-4-14-38/h1-37,57-58H/b57-55+,58-56-
• InChIKey: YIPGNAVAJDWOQR-RIHZBRGYSA-N
• XLogP: 14.49
• TPSA: 61.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	769.95
LogP ≤ 5	14.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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-[2-[2-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]benzenecarboximidate?

The IUPAC name of benzenecarboximidoyl 4-[2-[2-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]benzenecarboximidate (CID 143952725) is benzenecarboximidoyl 4-[2-[2-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]benzenecarboximidate.

What is the SMILES notation for benzenecarboximidoyl 4-[2-[2-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]benzenecarboximidate?

The canonical SMILES for benzenecarboximidoyl 4-[2-[2-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]benzenecarboximidate is [H]/N=C(\O/C(=N/[H])c1ccccc1)c1ccc(-c2ccccc2-c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)cc5)ccc43)cc2)cc1.

What is the InChIKey of benzenecarboximidoyl 4-[2-[2-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]benzenecarboximidate?

The InChIKey is YIPGNAVAJDWOQR-RIHZBRGYSA-N. The full InChI is InChI=1S/C56H39N3O/c57-55(43-15-5-2-6-16-43)60-56(58)44-29-27-41(28-30-44)47-17-7-9-19-49(47)50-20-10-8-18-48(50)42-31-34-46(35-32-42)59-53-22-12-11-21-51(53)52-37-45(33-36-54(52)59)40-25-23-39(24-26-40)38-13-3-1-4-14-38/h1-37,57-58H/b57-55+,58-56-.

What are the key properties of benzenecarboximidoyl 4-[2-[2-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]benzenecarboximidate?

benzenecarboximidoyl 4-[2-[2-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]benzenecarboximidate has a molecular weight of 769.95 g/mol, XLogP of 14.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for benzenecarboximidoyl 4-[2-[2-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]benzenecarboximidate is sourced from PubChem (CID 143952725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).