6-diphenylphosphoryl-8-phenylphenanthridine

C31H22NOP — CID 177440018

IUPAC6-diphenylphosphoryl-8-phenylphenanthridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1nc2ccccc2c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C31H22NOP/c33-34(25-14-6-2-7-15-25,26-16-8-3-9-17-26)31-29-22-24(23-12-4-1-5-13-23)20-21-27(29)28-18-10-11-19-30(28)32-31/h1-22H
InChIKeyDBTUDTXNJQNAQT-UHFFFAOYSA-N
MW455.50 g/mol
LogP6.69
Rot. Bonds4

About 6-diphenylphosphoryl-8-phenylphenanthridine

6-diphenylphosphoryl-8-phenylphenanthridine (PubChem CID 177440018) has the molecular formula C31H22NOP and a molecular weight of 455.50 g/mol. Its IUPAC name is 6-diphenylphosphoryl-8-phenylphenanthridine.

Molecular Properties

Compound Name6-diphenylphosphoryl-8-phenylphenanthridine
PubChem CID177440018
Molecular FormulaC31H22NOP
Molecular Weight455.50 g/mol
Exact Mass455.14
IUPAC Name6-diphenylphosphoryl-8-phenylphenanthridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1nc2ccccc2c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C31H22NOP/c33-34(25-14-6-2-7-15-25,26-16-8-3-9-17-26)31-29-22-24(23-12-4-1-5-13-23)20-21-27(29)28-18-10-11-19-30(28)32-31/h1-22H
InChIKeyDBTUDTXNJQNAQT-UHFFFAOYSA-N
XLogP6.69
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.50
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

9-(3-diphenylphosphorylphenyl)acridine
CID 146204114
11-diphenylphosphoryl-17-phenyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15(20),16,18-decaene
CID 134336504
1,3-bis(4-diphenylphosphorylphenyl)benzene
CID 102485161
6-[3-(3-diphenylphosphorylphenyl)phenyl]-2-(3-phenylphenyl)benzo[k]phenanthridine
CID 155249235
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103
2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140901948
6-(4-diphenylphosphorylphenyl)-8-phenylbenzo[k]phenanthridine
CID 118332109
9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene
CID 166031061
2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118231237
2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901969
5-[4-(4-diphenylphosphorylphenyl)phenyl]-3-phenylbenzo[i][1,9]phenanthroline
CID 164810755
7-(3-diphenylphosphorylphenyl)benzo[c]acridine
CID 146203985

Frequently Asked Questions

What is the IUPAC name of 6-diphenylphosphoryl-8-phenylphenanthridine?
The IUPAC name of 6-diphenylphosphoryl-8-phenylphenanthridine (CID 177440018) is 6-diphenylphosphoryl-8-phenylphenanthridine.
What is the SMILES notation for 6-diphenylphosphoryl-8-phenylphenanthridine?
The canonical SMILES for 6-diphenylphosphoryl-8-phenylphenanthridine is O=P(c1ccccc1)(c1ccccc1)c1nc2ccccc2c2ccc(-c3ccccc3)cc12.
What is the InChIKey of 6-diphenylphosphoryl-8-phenylphenanthridine?
The InChIKey is DBTUDTXNJQNAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22NOP/c33-34(25-14-6-2-7-15-25,26-16-8-3-9-17-26)31-29-22-24(23-12-4-1-5-13-23)20-21-27(29)28-18-10-11-19-30(28)32-31/h1-22H.
What are the key properties of 6-diphenylphosphoryl-8-phenylphenanthridine?
6-diphenylphosphoryl-8-phenylphenanthridine has a molecular weight of 455.50 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diphenylphosphoryl-8-phenylphenanthridine is sourced from PubChem (CID 177440018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).