11-[3-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole

C53H34N4 — CID 167031915

About 11-[3-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole

11-[3-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole (PubChem CID 167031915) has the molecular formula C53H34N4 and a molecular weight of 726.88 g/mol. Its IUPAC name is 11-[3-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole.

Molecular Properties

• Compound Name: 11-[3-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole
• PubChem CID: 167031915
• Molecular Formula: C53H34N4
• Molecular Weight: 726.88 g/mol
• Exact Mass: 726.28
• IUPAC Name: 11-[3-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole
• SMILES: c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5-c5cccc(-n6c7ccccc7c7ccc8ccccc8c76)c5)n4)ccc3c2)cc1
• InChI: InChI=1S/C53H34N4/c1-3-14-35(15-4-1)38-26-27-40-33-42(29-28-39(40)32-38)52-54-51(37-17-5-2-6-18-37)55-53(56-52)48-24-10-9-21-44(48)41-19-13-20-43(34-41)57-49-25-12-11-23-46(49)47-31-30-36-16-7-8-22-45(36)50(47)57/h1-34H
• InChIKey: NPYWHVFYNWNSHN-UHFFFAOYSA-N
• XLogP: 13.61
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.88
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 11-[3-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole (CID 167031915) is 11-[3-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole.

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

The canonical SMILES for 11-[3-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole is c1ccc(-c2ccc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5-c5cccc(-n6c7ccccc7c7ccc8ccccc8c76)c5)n4)ccc3c2)cc1.

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

The InChIKey is NPYWHVFYNWNSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4/c1-3-14-35(15-4-1)38-26-27-40-33-42(29-28-39(40)32-38)52-54-51(37-17-5-2-6-18-37)55-53(56-52)48-24-10-9-21-44(48)41-19-13-20-43(34-41)57-49-25-12-11-23-46(49)47-31-30-36-16-7-8-22-45(36)50(47)57/h1-34H.

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

11-[3-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole has a molecular weight of 726.88 g/mol, XLogP of 13.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[3-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole is sourced from PubChem (CID 167031915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).