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

C63H39N5 — CID 155477512

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

3-benzo[a]carbazol-11-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (PubChem CID 155477512) has the molecular formula C63H39N5 and a molecular weight of 866.04 g/mol. Its IUPAC name is 3-benzo[a]carbazol-11-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 3-benzo[a]carbazol-11-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
• PubChem CID: 155477512
• Molecular Formula: C63H39N5
• Molecular Weight: 866.04 g/mol
• Exact Mass: 865.32
• IUPAC Name: 3-benzo[a]carbazol-11-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
• SMILES: c1ccc(-c2cccc(-c3nc(-c4cccc(-n5c6cc(-n7c8ccccc8c8ccc9ccccc9c87)ccc6c6cc7ccccc7cc65)c4)nc(-c4ccc5ccccc5c4)n3)c2)cc1
• InChI: InChI=1S/C63H39N5/c1-2-14-40(15-3-1)44-21-12-22-47(34-44)61-64-62(66-63(65-61)49-29-28-41-16-4-5-18-43(41)35-49)48-23-13-24-50(36-48)67-58-38-46-20-7-6-19-45(46)37-56(58)54-33-31-51(39-59(54)67)68-57-27-11-10-26-53(57)55-32-30-42-17-8-9-25-52(42)60(55)68/h1-39H
• InChIKey: WKVRIHJGMBDJQG-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 3-benzo[a]carbazol-11-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?

The IUPAC name of 3-benzo[a]carbazol-11-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (CID 155477512) is 3-benzo[a]carbazol-11-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.

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

The canonical SMILES for 3-benzo[a]carbazol-11-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is c1ccc(-c2cccc(-c3nc(-c4cccc(-n5c6cc(-n7c8ccccc8c8ccc9ccccc9c87)ccc6c6cc7ccccc7cc65)c4)nc(-c4ccc5ccccc5c4)n3)c2)cc1.

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

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

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

3-benzo[a]carbazol-11-yl-5-[3-[4-naphthalen-2-yl-6-(3-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 3-benzo[a]carbazol-11-yl-5-[3-[4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 155477512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).