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

C49H31N5 — CID 146621945

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

5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (PubChem CID 146621945) has the molecular formula C49H31N5 and a molecular weight of 689.82 g/mol. Its IUPAC name is 5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
• PubChem CID: 146621945
• Molecular Formula: C49H31N5
• Molecular Weight: 689.82 g/mol
• Exact Mass: 689.26
• IUPAC Name: 5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
• SMILES: c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc6ccccc6cc54)c3)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1
• InChI: InChI=1S/C49H31N5/c1-3-14-32(15-4-1)47-50-48(52-49(51-47)36-26-27-41-39-22-9-11-24-43(39)53(45(41)31-36)37-19-5-2-6-20-37)35-18-13-21-38(28-35)54-44-25-12-10-23-40(44)42-29-33-16-7-8-17-34(33)30-46(42)54/h1-31H
• InChIKey: FEWSGZHYLSFYBF-UHFFFAOYSA-N
• XLogP: 12.22
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.82
LogP ≤ 5	12.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole (CID 146621945) is 5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole.

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

The canonical SMILES for 5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc6ccccc6cc54)c3)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1.

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

The InChIKey is FEWSGZHYLSFYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N5/c1-3-14-32(15-4-1)47-50-48(52-49(51-47)36-26-27-41-39-22-9-11-24-43(39)53(45(41)31-36)37-19-5-2-6-20-37)35-18-13-21-38(28-35)54-44-25-12-10-23-40(44)42-29-33-16-7-8-17-34(33)30-46(42)54/h1-31H.

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

5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole has a molecular weight of 689.82 g/mol, XLogP of 12.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole is sourced from PubChem (CID 146621945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).