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

C52H34N4 — CID 146548291

IUPAC4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cccc6c5nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)cc4)cc3)n2)cc1
InChIInChI=1S/C52H34N4/c1-5-15-37(16-6-1)43-23-13-25-45-47(43)46-26-14-24-44(49(46)53-48(45)39-17-7-2-8-18-39)38-31-27-35(28-32-38)36-29-33-42(34-30-36)52-55-50(40-19-9-3-10-20-40)54-51(56-52)41-21-11-4-12-22-41/h1-34H
InChIKeyLDLZDXNGWWROHC-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.24
Rot. Bonds7

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

4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine (PubChem CID 146548291) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine.

Molecular Properties

Compound Name4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine
PubChem CID146548291
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cccc6c5nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)cc4)cc3)n2)cc1
InChIInChI=1S/C52H34N4/c1-5-15-37(16-6-1)43-23-13-25-45-47(43)46-26-14-24-44(49(46)53-48(45)39-17-7-2-8-18-39)38-31-27-35(28-32-38)36-29-33-42(34-30-36)52-55-50(40-19-9-3-10-20-40)54-51(56-52)41-21-11-4-12-22-41/h1-34H
InChIKeyLDLZDXNGWWROHC-UHFFFAOYSA-N
XLogP13.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.24
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

4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549107
4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;6,10-diphenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,10-diphenylphenanthridine
CID 159557083
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,10-diphenylphenanthridine
CID 146548674
4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549222
4-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549913
4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenylbenzo[k]phenanthridine
CID 148540354
6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine
CID 146548667
6-(4-phenanthren-9-ylphenyl)-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[k]phenanthridine
CID 155249489
4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-6,10-diphenylphenanthridine
CID 160572866
8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-[1,2,5]oxadiazolo[3,4-k]phenanthridine
CID 165382875
4-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine
CID 146549386
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6-(4-phenylphenyl)phenanthridine
CID 146548262

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine?
The IUPAC name of 4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine (CID 146548291) is 4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine.
What is the SMILES notation for 4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine?
The canonical SMILES for 4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cccc6c5nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)cc4)cc3)n2)cc1.
What is the InChIKey of 4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine?
The InChIKey is LDLZDXNGWWROHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-5-15-37(16-6-1)43-23-13-25-45-47(43)46-26-14-24-44(49(46)53-48(45)39-17-7-2-8-18-39)38-31-27-35(28-32-38)36-29-33-42(34-30-36)52-55-50(40-19-9-3-10-20-40)54-51(56-52)41-21-11-4-12-22-41/h1-34H.
What are the key properties of 4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine?
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine has a molecular weight of 714.87 g/mol, XLogP of 13.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine is sourced from PubChem (CID 146548291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).