2-(4-diphenylphosphorylphenyl)-1H-phenanthro[9,10-d]imidazole

C33H23N2OP — CID 175345499

IUPAC2-(4-diphenylphosphorylphenyl)-1H-phenanthro[9,10-d]imidazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1
InChIInChI=1S/C33H23N2OP/c36-37(24-11-3-1-4-12-24,25-13-5-2-6-14-25)26-21-19-23(20-22-26)33-34-31-29-17-9-7-15-27(29)28-16-8-10-18-30(28)32(31)35-33/h1-22H,(H,34,35)
InChIKeyPEWWRZFJWBWCMO-UHFFFAOYSA-N
MW494.53 g/mol
LogP7.18
Rot. Bonds4

About 2-(4-diphenylphosphorylphenyl)-1H-phenanthro[9,10-d]imidazole

2-(4-diphenylphosphorylphenyl)-1H-phenanthro[9,10-d]imidazole (PubChem CID 175345499) has the molecular formula C33H23N2OP and a molecular weight of 494.53 g/mol. Its IUPAC name is 2-(4-diphenylphosphorylphenyl)-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-(4-diphenylphosphorylphenyl)-1H-phenanthro[9,10-d]imidazole
PubChem CID175345499
Molecular FormulaC33H23N2OP
Molecular Weight494.53 g/mol
Exact Mass494.15
IUPAC Name2-(4-diphenylphosphorylphenyl)-1H-phenanthro[9,10-d]imidazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1
InChIInChI=1S/C33H23N2OP/c36-37(24-11-3-1-4-12-24,25-13-5-2-6-14-25)26-21-19-23(20-22-26)33-34-31-29-17-9-7-15-27(29)28-16-8-10-18-30(28)32(31)35-33/h1-22H,(H,34,35)
InChIKeyPEWWRZFJWBWCMO-UHFFFAOYSA-N
XLogP7.18
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.53
LogP ≤ 57.18
H-Bond Donors ≤ 51
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

2-phenyl-1H-phenanthro[9,10-d]imidazole
CID 626372
2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole
CID 699593
2-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole
CID 3122497
4,5-dimethyl-2-phenyl-1H-benzo[e]benzimidazole
CID 67635510
CID 89277682
CID 89277682
2-[2-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1H-phenanthro[9,10-d]imidazole
CID 102489303
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid
CID 46865048
9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene
CID 166031061
2-[4-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901945
1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 58982863
5-(4-diphenylphosphorylphenyl)-10-phenylpyrido[2,3-g]quinoline
CID 118633176
5-iodo-2-[3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole
CID 3106828

Frequently Asked Questions

What is the IUPAC name of 2-(4-diphenylphosphorylphenyl)-1H-phenanthro[9,10-d]imidazole?
The IUPAC name of 2-(4-diphenylphosphorylphenyl)-1H-phenanthro[9,10-d]imidazole (CID 175345499) is 2-(4-diphenylphosphorylphenyl)-1H-phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-(4-diphenylphosphorylphenyl)-1H-phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-(4-diphenylphosphorylphenyl)-1H-phenanthro[9,10-d]imidazole is O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)cc1.
What is the InChIKey of 2-(4-diphenylphosphorylphenyl)-1H-phenanthro[9,10-d]imidazole?
The InChIKey is PEWWRZFJWBWCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N2OP/c36-37(24-11-3-1-4-12-24,25-13-5-2-6-14-25)26-21-19-23(20-22-26)33-34-31-29-17-9-7-15-27(29)28-16-8-10-18-30(28)32(31)35-33/h1-22H,(H,34,35).
What are the key properties of 2-(4-diphenylphosphorylphenyl)-1H-phenanthro[9,10-d]imidazole?
2-(4-diphenylphosphorylphenyl)-1H-phenanthro[9,10-d]imidazole has a molecular weight of 494.53 g/mol, XLogP of 7.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-diphenylphosphorylphenyl)-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 175345499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).