9,9-dimethyl-10-[9-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]acridine

C45H36N3OP — CID 134194146

About 9,9-dimethyl-10-[9-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]acridine

9,9-dimethyl-10-[9-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]acridine (PubChem CID 134194146) has the molecular formula C45H36N3OP and a molecular weight of 665.78 g/mol. Its IUPAC name is 9,9-dimethyl-10-[9-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]acridine.

Molecular Properties

• Compound Name: 9,9-dimethyl-10-[9-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]acridine
• PubChem CID: 134194146
• Molecular Formula: C45H36N3OP
• Molecular Weight: 665.78 g/mol
• Exact Mass: 665.26
• IUPAC Name: 9,9-dimethyl-10-[9-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]acridine
• SMILES: Cc1cc(P(=O)(c2ccccc2)c2ccccn2)ccc1-n1c2ccccc2c2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc21
• InChI: InChI=1S/C45H36N3OP/c1-31-29-34(50(49,33-15-5-4-6-16-33)44-23-13-14-28-46-44)25-27-39(31)48-40-20-10-7-17-35(40)36-30-32(24-26-41(36)48)47-42-21-11-8-18-37(42)45(2,3)38-19-9-12-22-43(38)47/h4-30H,1-3H3
• InChIKey: KWJPMGGGJXBUIH-UHFFFAOYSA-N
• XLogP: 10.24
• TPSA: 38.13 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.78
LogP ≤ 5	10.24
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 9,9-dimethyl-10-[9-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]acridine?

The IUPAC name of 9,9-dimethyl-10-[9-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]acridine (CID 134194146) is 9,9-dimethyl-10-[9-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]acridine.

What is the SMILES notation for 9,9-dimethyl-10-[9-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]acridine?

The canonical SMILES for 9,9-dimethyl-10-[9-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]acridine is Cc1cc(P(=O)(c2ccccc2)c2ccccn2)ccc1-n1c2ccccc2c2cc(N3c4ccccc4C(C)(C)c4ccccc43)ccc21.

What is the InChIKey of 9,9-dimethyl-10-[9-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]acridine?

The InChIKey is KWJPMGGGJXBUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N3OP/c1-31-29-34(50(49,33-15-5-4-6-16-33)44-23-13-14-28-46-44)25-27-39(31)48-40-20-10-7-17-35(40)36-30-32(24-26-41(36)48)47-42-21-11-8-18-37(42)45(2,3)38-19-9-12-22-43(38)47/h4-30H,1-3H3.

What are the key properties of 9,9-dimethyl-10-[9-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]acridine?

9,9-dimethyl-10-[9-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]acridine has a molecular weight of 665.78 g/mol, XLogP of 10.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-10-[9-[2-methyl-4-[phenyl(pyridin-2-yl)phosphoryl]phenyl]carbazol-3-yl]acridine is sourced from PubChem (CID 134194146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).