3-[9-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole

C53H37N5 — CID 144597221

About 3-[9-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole

3-[9-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole (PubChem CID 144597221) has the molecular formula C53H37N5 and a molecular weight of 743.91 g/mol. Its IUPAC name is 3-[9-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[9-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
• PubChem CID: 144597221
• Molecular Formula: C53H37N5
• Molecular Weight: 743.91 g/mol
• Exact Mass: 743.30
• IUPAC Name: 3-[9-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
• SMILES: Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c3)n2)cc1
• InChI: InChI=1S/C53H37N5/c1-34-19-23-36(24-20-34)51-54-52(37-25-21-35(2)22-26-37)56-53(55-51)40-11-10-14-42(31-40)58-47-17-8-6-15-43(47)45-29-27-39(33-50(45)58)38-28-30-49-46(32-38)44-16-7-9-18-48(44)57(49)41-12-4-3-5-13-41/h3-33H,1-2H3
• InChIKey: YMFGJNGXIRNGBW-UHFFFAOYSA-N
• XLogP: 13.35
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.91
LogP ≤ 5	13.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[9-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole (CID 144597221) is 3-[9-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole.

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

The canonical SMILES for 3-[9-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c3)n2)cc1.

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

The InChIKey is YMFGJNGXIRNGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N5/c1-34-19-23-36(24-20-34)51-54-52(37-25-21-35(2)22-26-37)56-53(55-51)40-11-10-14-42(31-40)58-47-17-8-6-15-43(47)45-29-27-39(33-50(45)58)38-28-30-49-46(32-38)44-16-7-9-18-48(44)57(49)41-12-4-3-5-13-41/h3-33H,1-2H3.

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

3-[9-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 743.91 g/mol, XLogP of 13.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 144597221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).