5-[4-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole

C55H35N5 — CID 146621071

About 5-[4-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole

5-[4-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (PubChem CID 146621071) has the molecular formula C55H35N5 and a molecular weight of 765.92 g/mol. Its IUPAC name is 5-[4-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[4-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
• PubChem CID: 146621071
• Molecular Formula: C55H35N5
• Molecular Weight: 765.92 g/mol
• Exact Mass: 765.29
• IUPAC Name: 5-[4-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
• SMILES: c1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)cc4)nc(-c4cccc5c4c4ccccc4n5-c4ccccc4)n3)c2)cc1
• InChI: InChI=1S/C55H35N5/c1-3-15-36(16-4-1)38-19-13-20-41(33-38)54-56-53(57-55(58-54)46-25-14-28-50-52(46)45-24-10-12-27-49(45)59(50)42-21-5-2-6-22-42)37-29-31-43(32-30-37)60-48-26-11-9-23-44(48)47-34-39-17-7-8-18-40(39)35-51(47)60/h1-35H
• InChIKey: JCDHLZINXXPUSN-UHFFFAOYSA-N
• XLogP: 13.89
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.92
LogP ≤ 5	13.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?

The IUPAC name of 5-[4-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (CID 146621071) is 5-[4-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.

What is the SMILES notation for 5-[4-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?

The canonical SMILES for 5-[4-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)cc4)nc(-c4cccc5c4c4ccccc4n5-c4ccccc4)n3)c2)cc1.

What is the InChIKey of 5-[4-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?

The InChIKey is JCDHLZINXXPUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N5/c1-3-15-36(16-4-1)38-19-13-20-41(33-38)54-56-53(57-55(58-54)46-25-14-28-50-52(46)45-24-10-12-27-49(45)59(50)42-21-5-2-6-22-42)37-29-31-43(32-30-37)60-48-26-11-9-23-44(48)47-34-39-17-7-8-18-40(39)35-51(47)60/h1-35H.

What are the key properties of 5-[4-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole?

5-[4-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole has a molecular weight of 765.92 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 146621071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).