11-(4-diphenylphosphorylphenyl)-5-naphthalen-1-yl-2,3-diphenylpyrazino[2,3-i]phenanthridine

C55H36N3OP — CID 164767654

IUPAC11-(4-diphenylphosphorylphenyl)-5-naphthalen-1-yl-2,3-diphenylpyrazino[2,3-i]phenanthridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc3nc(-c4ccccc4)c(-c4ccccc4)nc3c3c(-c4cccc5ccccc45)nc4ccccc4c23)cc1
InChIInChI=1S/C55H36N3OP/c59-60(41-24-9-3-10-25-41,42-26-11-4-12-27-42)43-34-32-38(33-35-43)47-36-49-55(58-53(40-21-7-2-8-22-40)52(57-49)39-19-5-1-6-20-39)51-50(47)46-29-15-16-31-48(46)56-54(51)45-30-17-23-37-18-13-14-28-44(37)45/h1-36H
InChIKeyJAPIFNXWAZIQQV-UHFFFAOYSA-N
MW785.89 g/mol
LogP12.79
Rot. Bonds7

About 11-(4-diphenylphosphorylphenyl)-5-naphthalen-1-yl-2,3-diphenylpyrazino[2,3-i]phenanthridine

11-(4-diphenylphosphorylphenyl)-5-naphthalen-1-yl-2,3-diphenylpyrazino[2,3-i]phenanthridine (PubChem CID 164767654) has the molecular formula C55H36N3OP and a molecular weight of 785.89 g/mol. Its IUPAC name is 11-(4-diphenylphosphorylphenyl)-5-naphthalen-1-yl-2,3-diphenylpyrazino[2,3-i]phenanthridine.

Molecular Properties

Compound Name11-(4-diphenylphosphorylphenyl)-5-naphthalen-1-yl-2,3-diphenylpyrazino[2,3-i]phenanthridine
PubChem CID164767654
Molecular FormulaC55H36N3OP
Molecular Weight785.89 g/mol
Exact Mass785.26
IUPAC Name11-(4-diphenylphosphorylphenyl)-5-naphthalen-1-yl-2,3-diphenylpyrazino[2,3-i]phenanthridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc3nc(-c4ccccc4)c(-c4ccccc4)nc3c3c(-c4cccc5ccccc45)nc4ccccc4c23)cc1
InChIInChI=1S/C55H36N3OP/c59-60(41-24-9-3-10-25-41,42-26-11-4-12-27-42)43-34-32-38(33-35-43)47-36-49-55(58-53(40-21-7-2-8-22-40)52(57-49)39-19-5-1-6-20-39)51-50(47)46-29-15-16-31-48(46)56-54(51)45-30-17-23-37-18-13-14-28-44(37)45/h1-36H
InChIKeyJAPIFNXWAZIQQV-UHFFFAOYSA-N
XLogP12.79
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.89
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

5-[2-(4-diphenylphosphorylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-isocyano-2,3-diphenylpyrazino[2,3-i]phenanthridine;2,3,11-triphenyl-5-(2-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine
CID 165021536
11-(4-carbazol-9-ylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;11-(4-diphenylphosphorylphenyl)-2,3,5-triphenylpyrazino[2,3-i]phenanthridine;2,3,5-triphenyl-11-(4-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine
CID 164995217
6-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665421
5-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]benzo[i]phenanthridine
CID 129265519
5-(4-diphenylphosphorylphenyl)-14-phenyl-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 166009732
10-[4-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenylphenanthridine
CID 146548847
6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine
CID 118332109
10-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenylphenanthridine
CID 146548515
5-[3-(4-carbazol-9-ylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(4-diphenylphosphorylphenyl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,3,11-triphenylpyrazino[2,3-i]phenanthridine;2,3,11-triphenyl-5-(3-triphenylen-2-ylphenyl)pyrazino[2,3-i]phenanthridine
CID 165108633
3-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549903
7-[2-(4-diphenylphosphorylphenyl)phenyl]-5-isocyano-2,3-diphenylpyrazino[2,3-k]phenanthridine
CID 164767600
9-(4-diphenylphosphorylphenyl)-12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
CID 129176255

Frequently Asked Questions

What is the IUPAC name of 11-(4-diphenylphosphorylphenyl)-5-naphthalen-1-yl-2,3-diphenylpyrazino[2,3-i]phenanthridine?
The IUPAC name of 11-(4-diphenylphosphorylphenyl)-5-naphthalen-1-yl-2,3-diphenylpyrazino[2,3-i]phenanthridine (CID 164767654) is 11-(4-diphenylphosphorylphenyl)-5-naphthalen-1-yl-2,3-diphenylpyrazino[2,3-i]phenanthridine.
What is the SMILES notation for 11-(4-diphenylphosphorylphenyl)-5-naphthalen-1-yl-2,3-diphenylpyrazino[2,3-i]phenanthridine?
The canonical SMILES for 11-(4-diphenylphosphorylphenyl)-5-naphthalen-1-yl-2,3-diphenylpyrazino[2,3-i]phenanthridine is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc3nc(-c4ccccc4)c(-c4ccccc4)nc3c3c(-c4cccc5ccccc45)nc4ccccc4c23)cc1.
What is the InChIKey of 11-(4-diphenylphosphorylphenyl)-5-naphthalen-1-yl-2,3-diphenylpyrazino[2,3-i]phenanthridine?
The InChIKey is JAPIFNXWAZIQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N3OP/c59-60(41-24-9-3-10-25-41,42-26-11-4-12-27-42)43-34-32-38(33-35-43)47-36-49-55(58-53(40-21-7-2-8-22-40)52(57-49)39-19-5-1-6-20-39)51-50(47)46-29-15-16-31-48(46)56-54(51)45-30-17-23-37-18-13-14-28-44(37)45/h1-36H.
What are the key properties of 11-(4-diphenylphosphorylphenyl)-5-naphthalen-1-yl-2,3-diphenylpyrazino[2,3-i]phenanthridine?
11-(4-diphenylphosphorylphenyl)-5-naphthalen-1-yl-2,3-diphenylpyrazino[2,3-i]phenanthridine has a molecular weight of 785.89 g/mol, XLogP of 12.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-diphenylphosphorylphenyl)-5-naphthalen-1-yl-2,3-diphenylpyrazino[2,3-i]phenanthridine is sourced from PubChem (CID 164767654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).