9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole

C60H38N8 — CID 147194061

About 9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole

9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole (PubChem CID 147194061) has the molecular formula C60H38N8 and a molecular weight of 871.02 g/mol. Its IUPAC name is 9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole.

Molecular Properties

• Compound Name: 9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
• PubChem CID: 147194061
• Molecular Formula: C60H38N8
• Molecular Weight: 871.02 g/mol
• Exact Mass: 870.32
• IUPAC Name: 9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)n4)ccc3-n3c4ccccc4c4ccccc43)n2)cc1
• InChI: InChI=1S/C60H38N8/c1-5-20-39(21-6-1)44-31-19-35-53-54(44)47-30-15-18-34-51(47)68(53)60-65-57(42-26-11-4-12-27-42)62-58(66-60)43-36-37-52(67-49-32-16-13-28-45(49)46-29-14-17-33-50(46)67)48(38-43)59-63-55(40-22-7-2-8-23-40)61-56(64-59)41-24-9-3-10-25-41/h1-38H
• InChIKey: CBZRCGOUXFHPPD-UHFFFAOYSA-N
• XLogP: 14.25
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	871.02
LogP ≤ 5	14.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole?

The IUPAC name of 9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole (CID 147194061) is 9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole.

What is the SMILES notation for 9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole?

The canonical SMILES for 9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c(-c7ccccc7)cccc65)n4)ccc3-n3c4ccccc4c4ccccc43)n2)cc1.

What is the InChIKey of 9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole?

The InChIKey is CBZRCGOUXFHPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N8/c1-5-20-39(21-6-1)44-31-19-35-53-54(44)47-30-15-18-34-51(47)68(53)60-65-57(42-26-11-4-12-27-42)62-58(66-60)43-36-37-52(67-49-32-16-13-28-45(49)46-29-14-17-33-50(46)67)48(38-43)59-63-55(40-22-7-2-8-23-40)61-56(64-59)41-24-9-3-10-25-41/h1-38H.

What are the key properties of 9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole?

9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole has a molecular weight of 871.02 g/mol, XLogP of 14.25, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole is sourced from PubChem (CID 147194061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).