3-ethenyl-10-phenyl-1-[4-phenyl-6-[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole

C58H41N5 — CID 167157398

About 3-ethenyl-10-phenyl-1-[4-phenyl-6-[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole

3-ethenyl-10-phenyl-1-[4-phenyl-6-[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole (PubChem CID 167157398) has the molecular formula C58H41N5 and a molecular weight of 808.00 g/mol. Its IUPAC name is 3-ethenyl-10-phenyl-1-[4-phenyl-6-[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 3-ethenyl-10-phenyl-1-[4-phenyl-6-[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
• PubChem CID: 167157398
• Molecular Formula: C58H41N5
• Molecular Weight: 808.00 g/mol
• Exact Mass: 807.34
• IUPAC Name: 3-ethenyl-10-phenyl-1-[4-phenyl-6-[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole
• SMILES: C=Cc1c(/C=C\C)n(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccccc5-c5ccccc5)c4)c3)n2)c2c1ccc1c3ccccc3n(-c3ccccc3)c12
• InChI: InChI=1S/C58H41N5/c1-3-20-52-46(4-2)50-35-36-51-49-33-16-17-34-53(49)62(45-29-12-7-13-30-45)54(51)55(50)63(52)58-60-56(40-23-10-6-11-24-40)59-57(61-58)44-28-19-26-42(38-44)41-25-18-27-43(37-41)48-32-15-14-31-47(48)39-21-8-5-9-22-39/h3-38H,2H2,1H3/b20-3-
• InChIKey: UJBBEKIPLCOAMG-DYUKFFQPSA-N
• XLogP: 14.92
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.00
LogP ≤ 5	14.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-10-phenyl-1-[4-phenyl-6-[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole?

The IUPAC name of 3-ethenyl-10-phenyl-1-[4-phenyl-6-[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole (CID 167157398) is 3-ethenyl-10-phenyl-1-[4-phenyl-6-[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole.

What is the SMILES notation for 3-ethenyl-10-phenyl-1-[4-phenyl-6-[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole?

The canonical SMILES for 3-ethenyl-10-phenyl-1-[4-phenyl-6-[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole is C=Cc1c(/C=C\C)n(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccccc5-c5ccccc5)c4)c3)n2)c2c1ccc1c3ccccc3n(-c3ccccc3)c12.

What is the InChIKey of 3-ethenyl-10-phenyl-1-[4-phenyl-6-[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole?

The InChIKey is UJBBEKIPLCOAMG-DYUKFFQPSA-N. The full InChI is InChI=1S/C58H41N5/c1-3-20-52-46(4-2)50-35-36-51-49-33-16-17-34-53(49)62(45-29-12-7-13-30-45)54(51)55(50)63(52)58-60-56(40-23-10-6-11-24-40)59-57(61-58)44-28-19-26-42(38-44)41-25-18-27-43(37-41)48-32-15-14-31-47(48)39-21-8-5-9-22-39/h3-38H,2H2,1H3/b20-3-.

What are the key properties of 3-ethenyl-10-phenyl-1-[4-phenyl-6-[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole?

3-ethenyl-10-phenyl-1-[4-phenyl-6-[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole has a molecular weight of 808.00 g/mol, XLogP of 14.92, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethenyl-10-phenyl-1-[4-phenyl-6-[3-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-2-[(Z)-prop-1-enyl]pyrrolo[2,3-a]carbazole is sourced from PubChem (CID 167157398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).