11-(2-phenylphenyl)-12-[4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole

C63H43N5 — CID 170392649

About 11-(2-phenylphenyl)-12-[4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole

11-(2-phenylphenyl)-12-[4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole (PubChem CID 170392649) has the molecular formula C63H43N5 and a molecular weight of 870.07 g/mol. Its IUPAC name is 11-(2-phenylphenyl)-12-[4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-(2-phenylphenyl)-12-[4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole
• PubChem CID: 170392649
• Molecular Formula: C63H43N5
• Molecular Weight: 870.07 g/mol
• Exact Mass: 869.35
• IUPAC Name: 11-(2-phenylphenyl)-12-[4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole
• SMILES: C1=CC2c3ccc4c5ccccc5n(-c5ccccc5-c5ccccc5)c4c3N(c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6ccc(-c7ccccc7)cc6)c5)c4)n3)C2C=C1
• InChI: InChI=1S/C63H43N5/c1-4-18-42(19-5-1)43-34-36-44(37-35-43)47-24-16-25-48(40-47)49-26-17-27-50(41-49)62-64-61(46-22-8-3-9-23-46)65-63(66-62)68-58-33-15-12-30-53(58)55-39-38-54-52-29-11-14-32-57(52)67(59(54)60(55)68)56-31-13-10-28-51(56)45-20-6-2-7-21-45/h1-41,53,58H
• InChIKey: GJCQMUCKXZPNCZ-UHFFFAOYSA-N
• XLogP: 15.70
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.07
LogP ≤ 5	15.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 11-(2-phenylphenyl)-12-[4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole?

The IUPAC name of 11-(2-phenylphenyl)-12-[4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole (CID 170392649) is 11-(2-phenylphenyl)-12-[4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole.

What is the SMILES notation for 11-(2-phenylphenyl)-12-[4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole?

The canonical SMILES for 11-(2-phenylphenyl)-12-[4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole is C1=CC2c3ccc4c5ccccc5n(-c5ccccc5-c5ccccc5)c4c3N(c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc(-c6ccc(-c7ccccc7)cc6)c5)c4)n3)C2C=C1.

What is the InChIKey of 11-(2-phenylphenyl)-12-[4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole?

The InChIKey is GJCQMUCKXZPNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N5/c1-4-18-42(19-5-1)43-34-36-44(37-35-43)47-24-16-25-48(40-47)49-26-17-27-50(41-49)62-64-61(46-22-8-3-9-23-46)65-63(66-62)68-58-33-15-12-30-53(58)55-39-38-54-52-29-11-14-32-57(52)67(59(54)60(55)68)56-31-13-10-28-51(56)45-20-6-2-7-21-45/h1-41,53,58H.

What are the key properties of 11-(2-phenylphenyl)-12-[4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole?

11-(2-phenylphenyl)-12-[4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole has a molecular weight of 870.07 g/mol, XLogP of 15.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(2-phenylphenyl)-12-[4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]-4a,12a-dihydroindolo[2,3-a]carbazole is sourced from PubChem (CID 170392649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).