3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine

C58H38N4 — CID 146548561

IUPAC3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccc6c(c5)nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)c4)n3)cc2)cc1
InChIInChI=1S/C58H38N4/c1-5-15-39(16-6-1)41-27-31-45(32-28-41)56-60-57(46-33-29-42(30-34-46)40-17-7-2-8-18-40)62-58(61-56)49-24-13-23-47(37-49)48-35-36-51-53(38-48)59-55(44-21-11-4-12-22-44)52-26-14-25-50(54(51)52)43-19-9-3-10-20-43/h1-38H
InChIKeyIQRZVWAWGWPOAQ-UHFFFAOYSA-N
MW790.97 g/mol
LogP14.91
Rot. Bonds8

About 3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine

3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine (PubChem CID 146548561) has the molecular formula C58H38N4 and a molecular weight of 790.97 g/mol. Its IUPAC name is 3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine.

Molecular Properties

Compound Name3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
PubChem CID146548561
Molecular FormulaC58H38N4
Molecular Weight790.97 g/mol
Exact Mass790.31
IUPAC Name3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccc6c(c5)nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)c4)n3)cc2)cc1
InChIInChI=1S/C58H38N4/c1-5-15-39(16-6-1)41-27-31-45(32-28-41)56-60-57(46-33-29-42(30-34-46)40-17-7-2-8-18-40)62-58(61-56)49-24-13-23-47(37-49)48-35-36-51-53(38-48)59-55(44-21-11-4-12-22-44)52-26-14-25-50(54(51)52)43-19-9-3-10-20-43/h1-38H
InChIKeyIQRZVWAWGWPOAQ-UHFFFAOYSA-N
XLogP14.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6,10-diphenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
CID 146548609
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6-(4-phenylphenyl)phenanthridine
CID 146548262
3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine
CID 146548907
10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine
CID 146548788
3-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549903
[4-[4-[4-(6,10-diphenylphenanthridin-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-diphenylphosphane
CID 163523054
3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548653
3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine
CID 146549029
2-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548633
10-[4-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine
CID 146548847
3-[4-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549899
6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine
CID 146548430

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?
The IUPAC name of 3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine (CID 146548561) is 3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine.
What is the SMILES notation for 3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?
The canonical SMILES for 3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccc6c(c5)nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)c4)n3)cc2)cc1.
What is the InChIKey of 3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?
The InChIKey is IQRZVWAWGWPOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4/c1-5-15-39(16-6-1)41-27-31-45(32-28-41)56-60-57(46-33-29-42(30-34-46)40-17-7-2-8-18-40)62-58(61-56)49-24-13-23-47(37-49)48-35-36-51-53(38-48)59-55(44-21-11-4-12-22-44)52-26-14-25-50(54(51)52)43-19-9-3-10-20-43/h1-38H.
What are the key properties of 3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine?
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine has a molecular weight of 790.97 g/mol, XLogP of 14.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine is sourced from PubChem (CID 146548561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).