9-(4-methyl-2-pyridinyl)-2-[3-[methyl(pyridin-2-yl)phosphoryl]phenyl]carbazole

C₃₀H₂₄N₃OP — CID 157460686

About 9-(4-methyl-2-pyridinyl)-2-[3-[methyl(pyridin-2-yl)phosphoryl]phenyl]carbazole

9-(4-methyl-2-pyridinyl)-2-[3-[methyl(pyridin-2-yl)phosphoryl]phenyl]carbazole (PubChem CID 157460686) has the molecular formula C₃₀H₂₄N₃OP and a molecular weight of 473.52 g/mol. Its IUPAC name is 9-(4-methyl-2-pyridinyl)-2-[3-[methyl(pyridin-2-yl)phosphoryl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-(4-methyl-2-pyridinyl)-2-[3-[methyl(pyridin-2-yl)phosphoryl]phenyl]carbazole
• PubChem CID: 157460686
• Molecular Formula: C₃₀H₂₄N₃OP
• Molecular Weight: 473.52 g/mol
• Exact Mass: 473.17
• IUPAC Name: 9-(4-methyl-2-pyridinyl)-2-[3-[methyl(pyridin-2-yl)phosphoryl]phenyl]carbazole
• SMILES: Cc1ccnc(-n2c3ccccc3c3ccc(-c4cccc(P(C)(=O)c5ccccn5)c4)cc32)c1
• InChI: InChI=1S/C30H24N3OP/c1-21-15-17-31-29(18-21)33-27-11-4-3-10-25(27)26-14-13-23(20-28(26)33)22-8-7-9-24(19-22)35(2,34)30-12-5-6-16-32-30/h3-20H,1-2H3
• InChIKey: VULWQGFVUOHKPR-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 47.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.52
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4-methyl-2-pyridinyl)-2-[3-[methyl(pyridin-2-yl)phosphoryl]phenyl]carbazole?

The IUPAC name of 9-(4-methyl-2-pyridinyl)-2-[3-[methyl(pyridin-2-yl)phosphoryl]phenyl]carbazole (CID 157460686) is 9-(4-methyl-2-pyridinyl)-2-[3-[methyl(pyridin-2-yl)phosphoryl]phenyl]carbazole.

What is the SMILES notation for 9-(4-methyl-2-pyridinyl)-2-[3-[methyl(pyridin-2-yl)phosphoryl]phenyl]carbazole?

The canonical SMILES for 9-(4-methyl-2-pyridinyl)-2-[3-[methyl(pyridin-2-yl)phosphoryl]phenyl]carbazole is Cc1ccnc(-n2c3ccccc3c3ccc(-c4cccc(P(C)(=O)c5ccccn5)c4)cc32)c1.

What is the InChIKey of 9-(4-methyl-2-pyridinyl)-2-[3-[methyl(pyridin-2-yl)phosphoryl]phenyl]carbazole?

The InChIKey is VULWQGFVUOHKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N3OP/c1-21-15-17-31-29(18-21)33-27-11-4-3-10-25(27)26-14-13-23(20-28(26)33)22-8-7-9-24(19-22)35(2,34)30-12-5-6-16-32-30/h3-20H,1-2H3.

What are the key properties of 9-(4-methyl-2-pyridinyl)-2-[3-[methyl(pyridin-2-yl)phosphoryl]phenyl]carbazole?

9-(4-methyl-2-pyridinyl)-2-[3-[methyl(pyridin-2-yl)phosphoryl]phenyl]carbazole has a molecular weight of 473.52 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-methyl-2-pyridinyl)-2-[3-[methyl(pyridin-2-yl)phosphoryl]phenyl]carbazole is sourced from PubChem (CID 157460686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157460686 — identifiers, structure, computed properties (public domain)

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