7-benzo[c]carbazol-7-yl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole

C63H39N5 — CID 155477625

About 7-benzo[c]carbazol-7-yl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole

7-benzo[c]carbazol-7-yl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole (PubChem CID 155477625) has the molecular formula C63H39N5 and a molecular weight of 866.04 g/mol. Its IUPAC name is 7-benzo[c]carbazol-7-yl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 7-benzo[c]carbazol-7-yl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
• PubChem CID: 155477625
• Molecular Formula: C63H39N5
• Molecular Weight: 866.04 g/mol
• Exact Mass: 865.32
• IUPAC Name: 7-benzo[c]carbazol-7-yl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5cc(-n6c7ccccc7c7cc8cccc(-n9c%10ccccc%10c%10c%11ccccc%11ccc%109)c8cc76)ccc5c4)n3)c2)cc1
• InChI: InChI=1S/C63H39N5/c1-3-15-40(16-4-1)43-20-13-22-47(35-43)62-64-61(42-18-5-2-6-19-42)65-63(66-62)48-30-29-45-37-49(33-31-44(45)36-48)67-55-26-11-9-24-51(55)54-38-46-21-14-28-57(53(46)39-59(54)67)68-56-27-12-10-25-52(56)60-50-23-8-7-17-41(50)32-34-58(60)68/h1-39H
• InChIKey: NAGCQDRDLLYJSI-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 7-benzo[c]carbazol-7-yl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole?

The IUPAC name of 7-benzo[c]carbazol-7-yl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole (CID 155477625) is 7-benzo[c]carbazol-7-yl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole.

What is the SMILES notation for 7-benzo[c]carbazol-7-yl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole?

The canonical SMILES for 7-benzo[c]carbazol-7-yl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5cc(-n6c7ccccc7c7cc8cccc(-n9c%10ccccc%10c%10c%11ccccc%11ccc%109)c8cc76)ccc5c4)n3)c2)cc1.

What is the InChIKey of 7-benzo[c]carbazol-7-yl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole?

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

What are the key properties of 7-benzo[c]carbazol-7-yl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole?

7-benzo[c]carbazol-7-yl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]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 7-benzo[c]carbazol-7-yl-5-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[b]carbazole is sourced from PubChem (CID 155477625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).