2,5-diphenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)pyrimido[5,4-b]indole

C138H90N12 — CID 160767185

About 2,5-diphenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)pyrimido[5,4-b]indole

2,5-diphenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)pyrimido[5,4-b]indole (PubChem CID 160767185) has the molecular formula C138H90N12 and a molecular weight of 1916.32 g/mol. Its IUPAC name is 2,5-diphenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)pyrimido[5,4-b]indole.

Molecular Properties

• Compound Name: 2,5-diphenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)pyrimido[5,4-b]indole
• PubChem CID: 160767185
• Molecular Formula: C138H90N12
• Molecular Weight: 1916.32 g/mol
• Exact Mass: 1914.74
• IUPAC Name: 2,5-diphenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)pyrimido[5,4-b]indole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c(n3)c3ccccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c(n3)c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc6c7ccccc7n(-c7ccccc7)c56)ccc43)c2)cc1
• InChI: InChI=1S/3C46H30N4/c1-4-15-31(16-5-1)32-17-14-18-34(29-32)46-47-43(45-44(48-46)38-24-11-13-26-41(38)50(45)36-21-8-3-9-22-36)33-27-28-42-39(30-33)37-23-10-12-25-40(37)49(42)35-19-6-2-7-20-35;1-4-15-31(16-5-1)33-19-14-22-36(29-33)49-40-25-12-10-23-37(40)39-30-34(27-28-42(39)49)43-45-44(48-46(47-43)32-17-6-2-7-18-32)38-24-11-13-26-41(38)50(45)35-20-8-3-9-21-35;1-4-14-31(15-5-1)32-24-26-33(27-25-32)46-47-43(45-44(48-46)38-21-11-13-23-41(38)50(45)36-18-8-3-9-19-36)34-28-29-42-39(30-34)37-20-10-12-22-40(37)49(42)35-16-6-2-7-17-35/h3*1-30H
• InChIKey: RYVFOHDCKOQGHY-UHFFFAOYSA-N
• XLogP: 35.02
• TPSA: 106.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1916.32
LogP ≤ 5	35.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)pyrimido[5,4-b]indole?

The IUPAC name of 2,5-diphenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)pyrimido[5,4-b]indole (CID 160767185) is 2,5-diphenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)pyrimido[5,4-b]indole.

What is the SMILES notation for 2,5-diphenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)pyrimido[5,4-b]indole?

The canonical SMILES for 2,5-diphenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)pyrimido[5,4-b]indole is c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c(n3)c3ccccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c(n3)c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc6c7ccccc7n(-c7ccccc7)c56)ccc43)c2)cc1.

What is the InChIKey of 2,5-diphenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)pyrimido[5,4-b]indole?

The InChIKey is RYVFOHDCKOQGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C46H30N4/c1-4-15-31(16-5-1)32-17-14-18-34(29-32)46-47-43(45-44(48-46)38-24-11-13-26-41(38)50(45)36-21-8-3-9-22-36)33-27-28-42-39(30-33)37-23-10-12-25-40(37)49(42)35-19-6-2-7-20-35;1-4-15-31(16-5-1)33-19-14-22-36(29-33)49-40-25-12-10-23-37(40)39-30-34(27-28-42(39)49)43-45-44(48-46(47-43)32-17-6-2-7-18-32)38-24-11-13-26-41(38)50(45)35-20-8-3-9-21-35;1-4-14-31(15-5-1)32-24-26-33(27-25-32)46-47-43(45-44(48-46)38-21-11-13-23-41(38)50(45)36-18-8-3-9-19-36)34-28-29-42-39(30-34)37-20-10-12-22-40(37)49(42)35-16-6-2-7-17-35/h3*1-30H.

What are the key properties of 2,5-diphenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)pyrimido[5,4-b]indole?

2,5-diphenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)pyrimido[5,4-b]indole has a molecular weight of 1916.32 g/mol, XLogP of 35.02, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-diphenyl-4-[9-(3-phenylphenyl)carbazol-3-yl]pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(3-phenylphenyl)pyrimido[5,4-b]indole;5-phenyl-4-(9-phenylcarbazol-3-yl)-2-(4-phenylphenyl)pyrimido[5,4-b]indole is sourced from PubChem (CID 160767185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).