7-methyl-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]pyrido[4,3-c]carbazol-1-one

C40H32N4O — CID 10460940

About 7-methyl-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]pyrido[4,3-c]carbazol-1-one

7-methyl-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]pyrido[4,3-c]carbazol-1-one (PubChem CID 10460940) has the molecular formula C40H32N4O and a molecular weight of 584.72 g/mol. Its IUPAC name is 7-methyl-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]pyrido[4,3-c]carbazol-1-one.

Molecular Properties

• Compound Name: 7-methyl-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]pyrido[4,3-c]carbazol-1-one
• PubChem CID: 10460940
• Molecular Formula: C40H32N4O
• Molecular Weight: 584.72 g/mol
• Exact Mass: 584.26
• IUPAC Name: 7-methyl-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]pyrido[4,3-c]carbazol-1-one
• SMILES: Cc1c(Cn2ccc3ccc4c(c5ccccc5n4C)c3c2=O)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C40H32N4O/c1-28-34(26-43-25-24-29-22-23-36-38(37(29)39(43)45)33-20-12-13-21-35(33)42(36)2)41-27-44(28)40(30-14-6-3-7-15-30,31-16-8-4-9-17-31)32-18-10-5-11-19-32/h3-25,27H,26H2,1-2H3
• InChIKey: PYDGXSRJZKAVCZ-UHFFFAOYSA-N
• XLogP: 8.04
• TPSA: 44.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.72
LogP ≤ 5	8.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]pyrido[4,3-c]carbazol-1-one?

The IUPAC name of 7-methyl-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]pyrido[4,3-c]carbazol-1-one (CID 10460940) is 7-methyl-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]pyrido[4,3-c]carbazol-1-one.

What is the SMILES notation for 7-methyl-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]pyrido[4,3-c]carbazol-1-one?

The canonical SMILES for 7-methyl-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]pyrido[4,3-c]carbazol-1-one is Cc1c(Cn2ccc3ccc4c(c5ccccc5n4C)c3c2=O)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1.

What is the InChIKey of 7-methyl-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]pyrido[4,3-c]carbazol-1-one?

The InChIKey is PYDGXSRJZKAVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N4O/c1-28-34(26-43-25-24-29-22-23-36-38(37(29)39(43)45)33-20-12-13-21-35(33)42(36)2)41-27-44(28)40(30-14-6-3-7-15-30,31-16-8-4-9-17-31)32-18-10-5-11-19-32/h3-25,27H,26H2,1-2H3.

What are the key properties of 7-methyl-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]pyrido[4,3-c]carbazol-1-one?

7-methyl-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]pyrido[4,3-c]carbazol-1-one has a molecular weight of 584.72 g/mol, XLogP of 8.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]pyrido[4,3-c]carbazol-1-one is sourced from PubChem (CID 10460940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).