N-[(1Z,3Z)-1-[4-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]penta-1,3-dienyl]methanimine

C51H36N6 — CID 154932512

About N-[(1Z,3Z)-1-[4-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]penta-1,3-dienyl]methanimine

N-[(1Z,3Z)-1-[4-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]penta-1,3-dienyl]methanimine (PubChem CID 154932512) has the molecular formula C51H36N6 and a molecular weight of 732.89 g/mol. Its IUPAC name is N-[(1Z,3Z)-1-[4-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]penta-1,3-dienyl]methanimine.

Molecular Properties

• Compound Name: N-[(1Z,3Z)-1-[4-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]penta-1,3-dienyl]methanimine
• PubChem CID: 154932512
• Molecular Formula: C51H36N6
• Molecular Weight: 732.89 g/mol
• Exact Mass: 732.30
• IUPAC Name: N-[(1Z,3Z)-1-[4-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]penta-1,3-dienyl]methanimine
• SMILES: C=N/C(=C\C=C/C)c1cc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ncccc5n6-c5ccccc5)ccc43)c2)cc(-c2ccccn2)n1
• InChI: InChI=1S/C51H36N6/c1-3-4-19-43(52-2)45-32-37(33-46(55-45)44-20-10-11-27-53-44)34-14-12-17-39(29-34)57-47-21-9-8-18-40(47)41-30-35(23-25-48(41)57)36-24-26-49-42(31-36)51-50(22-13-28-54-51)56(49)38-15-6-5-7-16-38/h3-33H,2H2,1H3/b4-3-,43-19-
• InChIKey: CESSMZPSNBQNPF-GARHKRGTSA-N
• XLogP: 12.68
• TPSA: 60.89 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.89
LogP ≤ 5	12.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-1-[4-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]penta-1,3-dienyl]methanimine?

The IUPAC name of N-[(1Z,3Z)-1-[4-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]penta-1,3-dienyl]methanimine (CID 154932512) is N-[(1Z,3Z)-1-[4-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]penta-1,3-dienyl]methanimine.

What is the SMILES notation for N-[(1Z,3Z)-1-[4-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]penta-1,3-dienyl]methanimine?

The canonical SMILES for N-[(1Z,3Z)-1-[4-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]penta-1,3-dienyl]methanimine is C=N/C(=C\C=C/C)c1cc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ncccc5n6-c5ccccc5)ccc43)c2)cc(-c2ccccn2)n1.

What is the InChIKey of N-[(1Z,3Z)-1-[4-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]penta-1,3-dienyl]methanimine?

The InChIKey is CESSMZPSNBQNPF-GARHKRGTSA-N. The full InChI is InChI=1S/C51H36N6/c1-3-4-19-43(52-2)45-32-37(33-46(55-45)44-20-10-11-27-53-44)34-14-12-17-39(29-34)57-47-21-9-8-18-40(47)41-30-35(23-25-48(41)57)36-24-26-49-42(31-36)51-50(22-13-28-54-51)56(49)38-15-6-5-7-16-38/h3-33H,2H2,1H3/b4-3-,43-19-.

What are the key properties of N-[(1Z,3Z)-1-[4-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]penta-1,3-dienyl]methanimine?

N-[(1Z,3Z)-1-[4-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]penta-1,3-dienyl]methanimine has a molecular weight of 732.89 g/mol, XLogP of 12.68, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1Z,3Z)-1-[4-[3-[3-(5-phenylpyrido[3,2-b]indol-8-yl)carbazol-9-yl]phenyl]-6-pyridin-2-yl-2-pyridinyl]penta-1,3-dienyl]methanimine is sourced from PubChem (CID 154932512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).