11-benzo[b]carbazol-5-yl-5-[4-[4-naphthalen-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole

C63H39N5 — CID 155476957

About 11-benzo[b]carbazol-5-yl-5-[4-[4-naphthalen-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole

11-benzo[b]carbazol-5-yl-5-[4-[4-naphthalen-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (PubChem CID 155476957) has the molecular formula C63H39N5 and a molecular weight of 866.04 g/mol. Its IUPAC name is 11-benzo[b]carbazol-5-yl-5-[4-[4-naphthalen-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 11-benzo[b]carbazol-5-yl-5-[4-[4-naphthalen-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
• PubChem CID: 155476957
• Molecular Formula: C63H39N5
• Molecular Weight: 866.04 g/mol
• Exact Mass: 865.32
• IUPAC Name: 11-benzo[b]carbazol-5-yl-5-[4-[4-naphthalen-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
• SMILES: c1ccc(-c2ccccc2-c2nc(-c3ccc(-n4c5ccccc5c5c(-n6c7ccccc7c7cc8ccccc8cc76)c6ccccc6cc54)cc3)nc(-c3cccc4ccccc34)n2)cc1
• InChI: InChI=1S/C63H39N5/c1-2-17-40(18-3-1)47-25-10-11-28-51(47)62-64-61(65-63(66-62)52-30-16-23-41-19-6-8-24-48(41)52)42-33-35-46(36-34-42)67-56-32-15-13-29-53(56)59-58(67)39-45-22-7-9-26-49(45)60(59)68-55-31-14-12-27-50(55)54-37-43-20-4-5-21-44(43)38-57(54)68/h1-39H
• InChIKey: QBBUIQYUQFJXFU-UHFFFAOYSA-N
• XLogP: 16.19
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	866.04
LogP ≤ 5	16.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 11-benzo[b]carbazol-5-yl-5-[4-[4-naphthalen-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?

The IUPAC name of 11-benzo[b]carbazol-5-yl-5-[4-[4-naphthalen-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (CID 155476957) is 11-benzo[b]carbazol-5-yl-5-[4-[4-naphthalen-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.

What is the SMILES notation for 11-benzo[b]carbazol-5-yl-5-[4-[4-naphthalen-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?

The canonical SMILES for 11-benzo[b]carbazol-5-yl-5-[4-[4-naphthalen-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is c1ccc(-c2ccccc2-c2nc(-c3ccc(-n4c5ccccc5c5c(-n6c7ccccc7c7cc8ccccc8cc76)c6ccccc6cc54)cc3)nc(-c3cccc4ccccc34)n2)cc1.

What is the InChIKey of 11-benzo[b]carbazol-5-yl-5-[4-[4-naphthalen-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?

The InChIKey is QBBUIQYUQFJXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N5/c1-2-17-40(18-3-1)47-25-10-11-28-51(47)62-64-61(65-63(66-62)52-30-16-23-41-19-6-8-24-48(41)52)42-33-35-46(36-34-42)67-56-32-15-13-29-53(56)59-58(67)39-45-22-7-9-26-49(45)60(59)68-55-31-14-12-27-50(55)54-37-43-20-4-5-21-44(43)38-57(54)68/h1-39H.

What are the key properties of 11-benzo[b]carbazol-5-yl-5-[4-[4-naphthalen-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?

11-benzo[b]carbazol-5-yl-5-[4-[4-naphthalen-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole has a molecular weight of 866.04 g/mol, XLogP of 16.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-benzo[b]carbazol-5-yl-5-[4-[4-naphthalen-1-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 155476957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).