[3-[6-(3,5-dimethylphenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-5-methylphenyl]-iminophosphane

C43H32N5P — CID 118503370

About [3-[6-(3,5-dimethylphenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-5-methylphenyl]-iminophosphane

[3-[6-(3,5-dimethylphenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-5-methylphenyl]-iminophosphane (PubChem CID 118503370) has the molecular formula C43H32N5P and a molecular weight of 649.74 g/mol. Its IUPAC name is [3-[6-(3,5-dimethylphenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-5-methylphenyl]-iminophosphane.

Molecular Properties

• Compound Name: [3-[6-(3,5-dimethylphenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-5-methylphenyl]-iminophosphane
• PubChem CID: 118503370
• Molecular Formula: C43H32N5P
• Molecular Weight: 649.74 g/mol
• Exact Mass: 649.24
• IUPAC Name: [3-[6-(3,5-dimethylphenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-5-methylphenyl]-iminophosphane
• SMILES: [H]/N=P/c1cc(C)cc(-c2cc(-c3cc(C)cc(C)c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)c1
• InChI: InChI=1S/C43H32N5P/c1-26-19-27(2)21-29(20-26)37-25-38(30-22-28(3)23-32(24-30)49-44)46-43(45-37)48-40-16-10-8-14-34(40)36-18-17-35-33-13-7-9-15-39(33)47(41(35)42(36)48)31-11-5-4-6-12-31/h4-25,44H,1-3H3
• InChIKey: WQDRAHCRAAWADK-UHFFFAOYSA-N
• XLogP: 11.26
• TPSA: 59.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.74
LogP ≤ 5	11.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[6-(3,5-dimethylphenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-5-methylphenyl]-iminophosphane?

The IUPAC name of [3-[6-(3,5-dimethylphenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-5-methylphenyl]-iminophosphane (CID 118503370) is [3-[6-(3,5-dimethylphenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-5-methylphenyl]-iminophosphane.

What is the SMILES notation for [3-[6-(3,5-dimethylphenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-5-methylphenyl]-iminophosphane?

The canonical SMILES for [3-[6-(3,5-dimethylphenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-5-methylphenyl]-iminophosphane is [H]/N=P/c1cc(C)cc(-c2cc(-c3cc(C)cc(C)c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)c1.

What is the InChIKey of [3-[6-(3,5-dimethylphenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-5-methylphenyl]-iminophosphane?

The InChIKey is WQDRAHCRAAWADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32N5P/c1-26-19-27(2)21-29(20-26)37-25-38(30-22-28(3)23-32(24-30)49-44)46-43(45-37)48-40-16-10-8-14-34(40)36-18-17-35-33-13-7-9-15-39(33)47(41(35)42(36)48)31-11-5-4-6-12-31/h4-25,44H,1-3H3.

What are the key properties of [3-[6-(3,5-dimethylphenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-5-methylphenyl]-iminophosphane?

[3-[6-(3,5-dimethylphenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-5-methylphenyl]-iminophosphane has a molecular weight of 649.74 g/mol, XLogP of 11.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[6-(3,5-dimethylphenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-5-methylphenyl]-iminophosphane is sourced from PubChem (CID 118503370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).