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

C52H35N4OP — CID 146548515

IUPAC10-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c(-c6ccccc6)nc6ccccc6c45)c3)n2)cc1
InChIInChI=1S/C52H35N4OP/c57-58(41-23-9-3-10-24-41,42-25-11-4-12-26-42)43-33-31-38(32-34-43)51-54-50(37-19-7-2-8-20-37)55-52(56-51)40-22-15-21-39(35-40)44-28-16-29-46-48(44)45-27-13-14-30-47(45)53-49(46)36-17-5-1-6-18-36/h1-35H
InChIKeyHICJMYMXWYCBPR-UHFFFAOYSA-N
MW762.85 g/mol
LogP11.55
Rot. Bonds8

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

10-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine (PubChem CID 146548515) has the molecular formula C52H35N4OP and a molecular weight of 762.85 g/mol. Its IUPAC name is 10-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine.

Molecular Properties

Compound Name10-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine
PubChem CID146548515
Molecular FormulaC52H35N4OP
Molecular Weight762.85 g/mol
Exact Mass762.25
IUPAC Name10-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c(-c6ccccc6)nc6ccccc6c45)c3)n2)cc1
InChIInChI=1S/C52H35N4OP/c57-58(41-23-9-3-10-24-41,42-25-11-4-12-26-42)43-33-31-38(32-34-43)51-54-50(37-19-7-2-8-20-37)55-52(56-51)40-22-15-21-39(35-40)44-28-16-29-46-48(44)45-27-13-14-30-47(45)53-49(46)36-17-5-1-6-18-36/h1-35H
InChIKeyHICJMYMXWYCBPR-UHFFFAOYSA-N
XLogP11.55
TPSA68.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.85
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

10-[4-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine
CID 146548847
3-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549903
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548561
6,10-diphenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
CID 146548609
6-[4-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 165383072
6-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-10-phenylphenanthridine
CID 146548430
10-phenyl-6-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenanthridine
CID 146548512
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6-(4-phenylphenyl)phenanthridine
CID 146548262
2-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;2-[4-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 158755983
4-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-2H-imidazo[4,5-k]phenanthridine
CID 176877042
6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine
CID 118332109
6-phenyl-10-[3-(2,4,6-triphenylpyrimidin-5-yl)phenyl]phenanthridine
CID 146549040

Frequently Asked Questions

What is the IUPAC name of 10-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine?
The IUPAC name of 10-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine (CID 146548515) is 10-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine.
What is the SMILES notation for 10-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine?
The canonical SMILES for 10-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c(-c6ccccc6)nc6ccccc6c45)c3)n2)cc1.
What is the InChIKey of 10-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine?
The InChIKey is HICJMYMXWYCBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N4OP/c57-58(41-23-9-3-10-24-41,42-25-11-4-12-26-42)43-33-31-38(32-34-43)51-54-50(37-19-7-2-8-20-37)55-52(56-51)40-22-15-21-39(35-40)44-28-16-29-46-48(44)45-27-13-14-30-47(45)53-49(46)36-17-5-1-6-18-36/h1-35H.
What are the key properties of 10-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine?
10-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine has a molecular weight of 762.85 g/mol, XLogP of 11.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine is sourced from PubChem (CID 146548515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).