6-[4-phenyl-6-(1-triphenylen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenanthridine

C50H30N4 — CID 167141174

IUPAC6-[4-phenyl-6-(1-triphenylen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenanthridine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3nc4ccccc4c4ccccc34)n2)cc1
InChIInChI=1S/C50H30N4/c1-2-15-32(16-3-1)48-52-49(54-50(53-48)47-42-24-11-10-22-39(42)41-23-12-13-25-45(41)51-47)43-29-26-31-14-4-5-17-34(31)46(43)33-27-28-40-37-20-7-6-18-35(37)36-19-8-9-21-38(36)44(40)30-33/h1-30H
InChIKeyGKWRLFUWPILXKQ-UHFFFAOYSA-N
MW686.82 g/mol
LogP12.85
Rot. Bonds4

About 6-[4-phenyl-6-(1-triphenylen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenanthridine

6-[4-phenyl-6-(1-triphenylen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenanthridine (PubChem CID 167141174) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 6-[4-phenyl-6-(1-triphenylen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenanthridine.

Molecular Properties

Compound Name6-[4-phenyl-6-(1-triphenylen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenanthridine
PubChem CID167141174
Molecular FormulaC50H30N4
Molecular Weight686.82 g/mol
Exact Mass686.25
IUPAC Name6-[4-phenyl-6-(1-triphenylen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenanthridine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3nc4ccccc4c4ccccc34)n2)cc1
InChIInChI=1S/C50H30N4/c1-2-15-32(16-3-1)48-52-49(54-50(53-48)47-42-24-11-10-22-39(42)41-23-12-13-25-45(41)51-47)43-29-26-31-14-4-5-17-34(31)46(43)33-27-28-40-37-20-7-6-18-35(37)36-19-8-9-21-38(36)44(40)30-33/h1-30H
InChIKeyGKWRLFUWPILXKQ-UHFFFAOYSA-N
XLogP12.85
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.82
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[4-phenyl-6-(1-triphenylen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenanthridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-triphenylen-2-ylquinoline
CID 142621894
2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 129101509
2-(1-phenylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176632434
2-(4-phenanthren-3-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 171732105
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[i]phenanthridine
CID 155792697
2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine
CID 155416651
2,4-diphenyl-6-[3-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 129099661
6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]phenyl]phenanthridine
CID 129201356
bis(6-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine);6-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine;6-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]phenanthridine
CID 158250597
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[c]phenanthridine
CID 155792510
2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 129101507
2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 155105161

Frequently Asked Questions

What is the IUPAC name of 6-[4-phenyl-6-(1-triphenylen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenanthridine?
The IUPAC name of 6-[4-phenyl-6-(1-triphenylen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenanthridine (CID 167141174) is 6-[4-phenyl-6-(1-triphenylen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenanthridine.
What is the SMILES notation for 6-[4-phenyl-6-(1-triphenylen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenanthridine?
The canonical SMILES for 6-[4-phenyl-6-(1-triphenylen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenanthridine is c1ccc(-c2nc(-c3ccc4ccccc4c3-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3nc4ccccc4c4ccccc34)n2)cc1.
What is the InChIKey of 6-[4-phenyl-6-(1-triphenylen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenanthridine?
The InChIKey is GKWRLFUWPILXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4/c1-2-15-32(16-3-1)48-52-49(54-50(53-48)47-42-24-11-10-22-39(42)41-23-12-13-25-45(41)51-47)43-29-26-31-14-4-5-17-34(31)46(43)33-27-28-40-37-20-7-6-18-35(37)36-19-8-9-21-38(36)44(40)30-33/h1-30H.
What are the key properties of 6-[4-phenyl-6-(1-triphenylen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenanthridine?
6-[4-phenyl-6-(1-triphenylen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenanthridine has a molecular weight of 686.82 g/mol, XLogP of 12.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-phenyl-6-(1-triphenylen-2-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenanthridine is sourced from PubChem (CID 167141174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).