5-[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole

C63H41N5 — CID 139303805

About 5-[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole

5-[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole (PubChem CID 139303805) has the molecular formula C63H41N5 and a molecular weight of 868.06 g/mol. Its IUPAC name is 5-[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole.

Molecular Properties

• Compound Name: 5-[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
• PubChem CID: 139303805
• Molecular Formula: C63H41N5
• Molecular Weight: 868.06 g/mol
• Exact Mass: 867.34
• IUPAC Name: 5-[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5c5cc(-c7ccccc7)ccc5n6-c5ccccc5)c4)n3)c(-n3c4ccccc4c4ccccc43)c2)cc1
• InChI: InChI=1S/C63H41N5/c1-5-19-42(20-6-1)45-36-38-57-54(40-45)60-50(31-18-34-58(60)67(57)49-27-11-4-12-28-49)47-25-17-26-48(39-47)62-64-61(44-23-9-3-10-24-44)65-63(66-62)53-37-35-46(43-21-7-2-8-22-43)41-59(53)68-55-32-15-13-29-51(55)52-30-14-16-33-56(52)68/h1-41H
• InChIKey: FCPJOWPXPLSJQA-UHFFFAOYSA-N
• XLogP: 16.07
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.06
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole?

The IUPAC name of 5-[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole (CID 139303805) is 5-[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole.

What is the SMILES notation for 5-[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole?

The canonical SMILES for 5-[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5c5cc(-c7ccccc7)ccc5n6-c5ccccc5)c4)n3)c(-n3c4ccccc4c4ccccc43)c2)cc1.

What is the InChIKey of 5-[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole?

The InChIKey is FCPJOWPXPLSJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5/c1-5-19-42(20-6-1)45-36-38-57-54(40-45)60-50(31-18-34-58(60)67(57)49-27-11-4-12-28-49)47-25-17-26-48(39-47)62-64-61(44-23-9-3-10-24-44)65-63(66-62)53-37-35-46(43-21-7-2-8-22-43)41-59(53)68-55-32-15-13-29-51(55)52-30-14-16-33-56(52)68/h1-41H.

What are the key properties of 5-[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole?

5-[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole has a molecular weight of 868.06 g/mol, XLogP of 16.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-(2-carbazol-9-yl-4-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole is sourced from PubChem (CID 139303805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).