2,4-diphenyl-7-(9-phenylcarbazol-3-yl)pyrimido[4,5-c]carbazole-1,3-dione

C44H28N4O2 — CID 122491563

About 2,4-diphenyl-7-(9-phenylcarbazol-3-yl)pyrimido[4,5-c]carbazole-1,3-dione

2,4-diphenyl-7-(9-phenylcarbazol-3-yl)pyrimido[4,5-c]carbazole-1,3-dione (PubChem CID 122491563) has the molecular formula C44H28N4O2 and a molecular weight of 644.73 g/mol. Its IUPAC name is 2,4-diphenyl-7-(9-phenylcarbazol-3-yl)pyrimido[4,5-c]carbazole-1,3-dione.

Molecular Properties

• Compound Name: 2,4-diphenyl-7-(9-phenylcarbazol-3-yl)pyrimido[4,5-c]carbazole-1,3-dione
• PubChem CID: 122491563
• Molecular Formula: C44H28N4O2
• Molecular Weight: 644.73 g/mol
• Exact Mass: 644.22
• IUPAC Name: 2,4-diphenyl-7-(9-phenylcarbazol-3-yl)pyrimido[4,5-c]carbazole-1,3-dione
• SMILES: O=c1c2c3c4ccccc4n(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3ccc2n(-c2ccccc2)c(=O)n1-c1ccccc1
• InChI: InChI=1S/C44H28N4O2/c49-43-42-40(47(30-16-6-2-7-17-30)44(50)48(43)31-18-8-3-9-19-31)27-26-39-41(42)34-21-11-13-23-37(34)46(39)32-24-25-38-35(28-32)33-20-10-12-22-36(33)45(38)29-14-4-1-5-15-29/h1-28H
• InChIKey: GYPILZXJDJMVNE-UHFFFAOYSA-N
• XLogP: 9.34
• TPSA: 53.86 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.73
LogP ≤ 5	9.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-7-(9-phenylcarbazol-3-yl)pyrimido[4,5-c]carbazole-1,3-dione?

The IUPAC name of 2,4-diphenyl-7-(9-phenylcarbazol-3-yl)pyrimido[4,5-c]carbazole-1,3-dione (CID 122491563) is 2,4-diphenyl-7-(9-phenylcarbazol-3-yl)pyrimido[4,5-c]carbazole-1,3-dione.

What is the SMILES notation for 2,4-diphenyl-7-(9-phenylcarbazol-3-yl)pyrimido[4,5-c]carbazole-1,3-dione?

The canonical SMILES for 2,4-diphenyl-7-(9-phenylcarbazol-3-yl)pyrimido[4,5-c]carbazole-1,3-dione is O=c1c2c3c4ccccc4n(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3ccc2n(-c2ccccc2)c(=O)n1-c1ccccc1.

What is the InChIKey of 2,4-diphenyl-7-(9-phenylcarbazol-3-yl)pyrimido[4,5-c]carbazole-1,3-dione?

The InChIKey is GYPILZXJDJMVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4O2/c49-43-42-40(47(30-16-6-2-7-17-30)44(50)48(43)31-18-8-3-9-19-31)27-26-39-41(42)34-21-11-13-23-37(34)46(39)32-24-25-38-35(28-32)33-20-10-12-22-36(33)45(38)29-14-4-1-5-15-29/h1-28H.

What are the key properties of 2,4-diphenyl-7-(9-phenylcarbazol-3-yl)pyrimido[4,5-c]carbazole-1,3-dione?

2,4-diphenyl-7-(9-phenylcarbazol-3-yl)pyrimido[4,5-c]carbazole-1,3-dione has a molecular weight of 644.73 g/mol, XLogP of 9.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-diphenyl-7-(9-phenylcarbazol-3-yl)pyrimido[4,5-c]carbazole-1,3-dione is sourced from PubChem (CID 122491563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).