N-[2-[(3E,4E)-4-ethylidene-3-prop-2-enylidene-10-(3-pyridin-4-ylphenyl)-2H-pyrido[2,3-b]carbazol-1-yl]phenyl]methanimine

C₃₈H₃₀N₄ — CID 144705620

About N-[2-[(3E,4E)-4-ethylidene-3-prop-2-enylidene-10-(3-pyridin-4-ylphenyl)-2H-pyrido[2,3-b]carbazol-1-yl]phenyl]methanimine

N-[2-[(3E,4E)-4-ethylidene-3-prop-2-enylidene-10-(3-pyridin-4-ylphenyl)-2H-pyrido[2,3-b]carbazol-1-yl]phenyl]methanimine (PubChem CID 144705620) has the molecular formula C₃₈H₃₀N₄ and a molecular weight of 542.69 g/mol. Its IUPAC name is N-[2-[(3E,4E)-4-ethylidene-3-prop-2-enylidene-10-(3-pyridin-4-ylphenyl)-2H-pyrido[2,3-b]carbazol-1-yl]phenyl]methanimine.

Molecular Properties

• Compound Name: N-[2-[(3E,4E)-4-ethylidene-3-prop-2-enylidene-10-(3-pyridin-4-ylphenyl)-2H-pyrido[2,3-b]carbazol-1-yl]phenyl]methanimine
• PubChem CID: 144705620
• Molecular Formula: C₃₈H₃₀N₄
• Molecular Weight: 542.69 g/mol
• Exact Mass: 542.25
• IUPAC Name: N-[2-[(3E,4E)-4-ethylidene-3-prop-2-enylidene-10-(3-pyridin-4-ylphenyl)-2H-pyrido[2,3-b]carbazol-1-yl]phenyl]methanimine
• SMILES: C=C/C=C1/CN(c2ccccc2N=C)c2cc3c(cc2/C1=C/C)c1ccccc1n3-c1cccc(-c2ccncc2)c1
• InChI: InChI=1S/C38H30N4/c1-4-11-28-25-41(36-17-9-7-15-34(36)39-3)37-24-38-33(23-32(37)30(28)5-2)31-14-6-8-16-35(31)42(38)29-13-10-12-27(22-29)26-18-20-40-21-19-26/h4-24H,1,3,25H2,2H3/b28-11-,30-5+
• InChIKey: PNSQYGNLXGHDIR-NWJLFMQASA-N
• XLogP: 9.85
• TPSA: 33.42 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.69
LogP ≤ 5	9.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3E,4E)-4-ethylidene-3-prop-2-enylidene-10-(3-pyridin-4-ylphenyl)-2H-pyrido[2,3-b]carbazol-1-yl]phenyl]methanimine?

The IUPAC name of N-[2-[(3E,4E)-4-ethylidene-3-prop-2-enylidene-10-(3-pyridin-4-ylphenyl)-2H-pyrido[2,3-b]carbazol-1-yl]phenyl]methanimine (CID 144705620) is N-[2-[(3E,4E)-4-ethylidene-3-prop-2-enylidene-10-(3-pyridin-4-ylphenyl)-2H-pyrido[2,3-b]carbazol-1-yl]phenyl]methanimine.

What is the SMILES notation for N-[2-[(3E,4E)-4-ethylidene-3-prop-2-enylidene-10-(3-pyridin-4-ylphenyl)-2H-pyrido[2,3-b]carbazol-1-yl]phenyl]methanimine?

The canonical SMILES for N-[2-[(3E,4E)-4-ethylidene-3-prop-2-enylidene-10-(3-pyridin-4-ylphenyl)-2H-pyrido[2,3-b]carbazol-1-yl]phenyl]methanimine is C=C/C=C1/CN(c2ccccc2N=C)c2cc3c(cc2/C1=C/C)c1ccccc1n3-c1cccc(-c2ccncc2)c1.

What is the InChIKey of N-[2-[(3E,4E)-4-ethylidene-3-prop-2-enylidene-10-(3-pyridin-4-ylphenyl)-2H-pyrido[2,3-b]carbazol-1-yl]phenyl]methanimine?

The InChIKey is PNSQYGNLXGHDIR-NWJLFMQASA-N. The full InChI is InChI=1S/C38H30N4/c1-4-11-28-25-41(36-17-9-7-15-34(36)39-3)37-24-38-33(23-32(37)30(28)5-2)31-14-6-8-16-35(31)42(38)29-13-10-12-27(22-29)26-18-20-40-21-19-26/h4-24H,1,3,25H2,2H3/b28-11-,30-5+.

What are the key properties of N-[2-[(3E,4E)-4-ethylidene-3-prop-2-enylidene-10-(3-pyridin-4-ylphenyl)-2H-pyrido[2,3-b]carbazol-1-yl]phenyl]methanimine?

N-[2-[(3E,4E)-4-ethylidene-3-prop-2-enylidene-10-(3-pyridin-4-ylphenyl)-2H-pyrido[2,3-b]carbazol-1-yl]phenyl]methanimine has a molecular weight of 542.69 g/mol, XLogP of 9.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3E,4E)-4-ethylidene-3-prop-2-enylidene-10-(3-pyridin-4-ylphenyl)-2H-pyrido[2,3-b]carbazol-1-yl]phenyl]methanimine is sourced from PubChem (CID 144705620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 144705620 — identifiers, structure, computed properties (public domain)

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