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

C62H37N5 — CID 165376102

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

6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoranthen-3-yl]phenyl]-9-phenylcarbazole-3-carbonitrile (PubChem CID 165376102) has the molecular formula C62H37N5 and a molecular weight of 852.01 g/mol. Its IUPAC name is 6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoranthen-3-yl]phenyl]-9-phenylcarbazole-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoranthen-3-yl]phenyl]-9-phenylcarbazole-3-carbonitrile
• PubChem CID: 165376102
• Molecular Formula: C62H37N5
• Molecular Weight: 852.01 g/mol
• Exact Mass: 851.30
• IUPAC Name: 6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoranthen-3-yl]phenyl]-9-phenylcarbazole-3-carbonitrile
• SMILES: N#Cc1ccc2c(c1)c1cc(-c3cccc(-c4ccc5c6c(ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c46)-c4ccccc4-5)c3)ccc1n2-c1ccccc1
• InChI: InChI=1S/C62H37N5/c63-38-39-23-33-56-54(35-39)55-37-45(28-34-57(55)67(56)47-19-8-3-9-20-47)44-17-12-18-46(36-44)49-30-32-53-51-22-11-10-21-50(51)52-31-29-48(58(49)59(52)53)40-24-26-43(27-25-40)62-65-60(41-13-4-1-5-14-41)64-61(66-62)42-15-6-2-7-16-42/h1-37H
• InChIKey: CHFRBWMGIHJDAN-UHFFFAOYSA-N
• XLogP: 15.64
• TPSA: 67.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.01
LogP ≤ 5	15.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoranthen-3-yl]phenyl]-9-phenylcarbazole-3-carbonitrile (CID 165376102) is 6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoranthen-3-yl]phenyl]-9-phenylcarbazole-3-carbonitrile.

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

The canonical SMILES for 6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoranthen-3-yl]phenyl]-9-phenylcarbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-c3cccc(-c4ccc5c6c(ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c46)-c4ccccc4-5)c3)ccc1n2-c1ccccc1.

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

The InChIKey is CHFRBWMGIHJDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37N5/c63-38-39-23-33-56-54(35-39)55-37-45(28-34-57(55)67(56)47-19-8-3-9-20-47)44-17-12-18-46(36-44)49-30-32-53-51-22-11-10-21-50(51)52-31-29-48(58(49)59(52)53)40-24-26-43(27-25-40)62-65-60(41-13-4-1-5-14-41)64-61(66-62)42-15-6-2-7-16-42/h1-37H.

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

6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoranthen-3-yl]phenyl]-9-phenylcarbazole-3-carbonitrile has a molecular weight of 852.01 g/mol, XLogP of 15.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoranthen-3-yl]phenyl]-9-phenylcarbazole-3-carbonitrile is sourced from PubChem (CID 165376102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).