5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole

C116H74N8 — CID 162025172

About 5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole

5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole (PubChem CID 162025172) has the molecular formula C116H74N8 and a molecular weight of 1579.92 g/mol. Its IUPAC name is 5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole
• PubChem CID: 162025172
• Molecular Formula: C116H74N8
• Molecular Weight: 1579.92 g/mol
• Exact Mass: 1578.60
• IUPAC Name: 5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)cc4)cc3)nc(-c3ccc(-c4cccc5ccccc45)cc3)n2)cc1.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc(-c5cccc6ccccc56)cc4)n3)cc2)cc1
• InChI: InChI=1S/C63H40N4.C53H34N4/c1-2-14-51-40-60-58(39-50(51)13-1)57-19-7-8-22-59(57)67(60)52-37-35-42(36-38-52)41-23-29-47(30-24-41)61-64-62(48-31-25-45(26-32-48)55-20-9-15-43-11-3-5-17-53(43)55)66-63(65-61)49-33-27-46(28-34-49)56-21-10-16-44-12-4-6-18-54(44)56;1-2-12-39(13-3-1)51-54-52(56-53(55-51)41-27-23-38(24-28-41)46-19-10-16-37-11-6-7-17-45(37)46)40-25-21-35(22-26-40)36-29-31-44(32-30-36)57-49-20-9-8-18-47(49)48-33-42-14-4-5-15-43(42)34-50(48)57/h1-40H;1-34H
• InChIKey: YVGVMIQUNFMALQ-UHFFFAOYSA-N
• XLogP: 30.04
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1579.92
LogP ≤ 5	30.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole?

The IUPAC name of 5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole (CID 162025172) is 5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole.

What is the SMILES notation for 5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole?

The canonical SMILES for 5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole is c1ccc(-c2nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)cc4)cc3)nc(-c3ccc(-c4cccc5ccccc45)cc3)n2)cc1.c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc(-c5cccc6ccccc56)cc4)n3)cc2)cc1.

What is the InChIKey of 5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole?

The InChIKey is YVGVMIQUNFMALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N4.C53H34N4/c1-2-14-51-40-60-58(39-50(51)13-1)57-19-7-8-22-59(57)67(60)52-37-35-42(36-38-52)41-23-29-47(30-24-41)61-64-62(48-31-25-45(26-32-48)55-20-9-15-43-11-3-5-17-53(43)55)66-63(65-61)49-33-27-46(28-34-49)56-21-10-16-44-12-4-6-18-54(44)56;1-2-12-39(13-3-1)51-54-52(56-53(55-51)41-27-23-38(24-28-41)46-19-10-16-37-11-6-7-17-45(37)46)40-25-21-35(22-26-40)36-29-31-44(32-30-36)57-49-20-9-8-18-47(49)48-33-42-14-4-5-15-43(42)34-50(48)57/h1-40H;1-34H.

What are the key properties of 5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole?

5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole has a molecular weight of 1579.92 g/mol, XLogP of 30.04, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 162025172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).