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

C51H34N4 — CID 122425259

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

9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (PubChem CID 122425259) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
• PubChem CID: 122425259
• Molecular Formula: C51H34N4
• Molecular Weight: 702.86 g/mol
• Exact Mass: 702.28
• IUPAC Name: 9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)n3)cc2)cc1
• InChI: InChI=1S/C51H34N4/c1-3-11-35(12-4-1)37-19-25-41(26-20-37)49-52-50(42-27-21-38(22-28-42)36-13-5-2-6-14-36)54-51(53-49)43-29-23-39(24-30-43)40-31-33-44(34-32-40)55-47-17-9-7-15-45(47)46-16-8-10-18-48(46)55/h1-34H
• InChIKey: MAQSBAPRIZNIEX-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.86
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole (CID 122425259) is 9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole.

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

The canonical SMILES for 9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)n3)cc2)cc1.

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

The InChIKey is MAQSBAPRIZNIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-3-11-35(12-4-1)37-19-25-41(26-20-37)49-52-50(42-27-21-38(22-28-42)36-13-5-2-6-14-36)54-51(53-49)43-29-23-39(24-30-43)40-31-33-44(34-32-40)55-47-17-9-7-15-45(47)46-16-8-10-18-48(46)55/h1-34H.

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

9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole has a molecular weight of 702.86 g/mol, XLogP of 12.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole is sourced from PubChem (CID 122425259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).