7-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]naphthalene-2-carbonitrile

C58H34N4 — CID 165376100

About 7-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]naphthalene-2-carbonitrile

7-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]naphthalene-2-carbonitrile (PubChem CID 165376100) has the molecular formula C58H34N4 and a molecular weight of 786.94 g/mol. Its IUPAC name is 7-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]naphthalene-2-carbonitrile.

Molecular Properties

• Compound Name: 7-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]naphthalene-2-carbonitrile
• PubChem CID: 165376100
• Molecular Formula: C58H34N4
• Molecular Weight: 786.94 g/mol
• Exact Mass: 786.28
• IUPAC Name: 7-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]naphthalene-2-carbonitrile
• SMILES: N#Cc1ccc2ccc(-c3ccc4c5c(ccc(-c6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c7ccccc67)c35)-c3ccccc3-4)cc2c1
• InChI: InChI=1S/C58H34N4/c59-35-36-19-20-37-21-26-42(34-43(37)33-36)45-28-30-51-48-17-9-10-18-49(48)52-31-32-53(54(45)55(51)52)50-29-27-44(46-15-7-8-16-47(46)50)38-22-24-41(25-23-38)58-61-56(39-11-3-1-4-12-39)60-57(62-58)40-13-5-2-6-14-40/h1-34H
• InChIKey: UEWLOYHZBQRGFO-UHFFFAOYSA-N
• XLogP: 14.85
• TPSA: 62.46 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	786.94
LogP ≤ 5	14.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]naphthalene-2-carbonitrile?

The IUPAC name of 7-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]naphthalene-2-carbonitrile (CID 165376100) is 7-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]naphthalene-2-carbonitrile.

What is the SMILES notation for 7-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]naphthalene-2-carbonitrile?

The canonical SMILES for 7-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]naphthalene-2-carbonitrile is N#Cc1ccc2ccc(-c3ccc4c5c(ccc(-c6ccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c7ccccc67)c35)-c3ccccc3-4)cc2c1.

What is the InChIKey of 7-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]naphthalene-2-carbonitrile?

The InChIKey is UEWLOYHZBQRGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4/c59-35-36-19-20-37-21-26-42(34-43(37)33-36)45-28-30-51-48-17-9-10-18-49(48)52-31-32-53(54(45)55(51)52)50-29-27-44(46-15-7-8-16-47(46)50)38-22-24-41(25-23-38)58-61-56(39-11-3-1-4-12-39)60-57(62-58)40-13-5-2-6-14-40/h1-34H.

What are the key properties of 7-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]naphthalene-2-carbonitrile?

7-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]naphthalene-2-carbonitrile has a molecular weight of 786.94 g/mol, XLogP of 14.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]fluoranthen-3-yl]naphthalene-2-carbonitrile is sourced from PubChem (CID 165376100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).