3-diphenylphosphorylphenanthrene

C26H19OP — CID 170944174

IUPAC3-diphenylphosphorylphenanthrene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C26H19OP/c27-28(22-10-3-1-4-11-22,23-12-5-2-6-13-23)24-18-17-21-16-15-20-9-7-8-14-25(20)26(21)19-24/h1-19H
InChIKeyYRFRGMUJPGLOIL-UHFFFAOYSA-N
MW378.41 g/mol
LogP5.63
Rot. Bonds3

About 3-diphenylphosphorylphenanthrene

3-diphenylphosphorylphenanthrene (PubChem CID 170944174) has the molecular formula C26H19OP and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-diphenylphosphorylphenanthrene.

Molecular Properties

Compound Name3-diphenylphosphorylphenanthrene
PubChem CID170944174
Molecular FormulaC26H19OP
Molecular Weight378.41 g/mol
Exact Mass378.12
IUPAC Name3-diphenylphosphorylphenanthrene
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2ccc3ccccc3c2c1
InChIInChI=1S/C26H19OP/c27-28(22-10-3-1-4-11-22,23-12-5-2-6-13-23)24-18-17-21-16-15-20-9-7-8-14-25(20)26(21)19-24/h1-19H
InChIKeyYRFRGMUJPGLOIL-UHFFFAOYSA-N
XLogP5.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.41
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

3-diphenylphosphorylhexahelicene
CID 10896698
2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene
CID 58982890
5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]benzo[a]anthracene
CID 118672810
1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 58982863
2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene
CID 58982866
1-diphenylphosphorylnaphthalene
CID 11023927
4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167411227
9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene
CID 122597792
6-diphenylphosphoryl-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4(9),5,7,11,13,15,18,20,22,24-dodecaene
CID 134336545
diphenylphosphorylbenzene;terbium
CID 86595283
5-bis(4-phenylphenyl)phosphoryl-23,23-diphenyl-23-silahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;5-dinaphthalen-2-ylphosphoryl-23,23-diphenyl-23-silahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;5-di(phenanthren-3-yl)phosphoryl-23,23-diphenyl-23-silahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;5-diphenylphosphoryl-23,23-diphenyl-23-silahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene;methane
CID 158022012
1-diphenylphosphorylnaphthalene;terbium
CID 161386720

Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphorylphenanthrene?
The IUPAC name of 3-diphenylphosphorylphenanthrene (CID 170944174) is 3-diphenylphosphorylphenanthrene.
What is the SMILES notation for 3-diphenylphosphorylphenanthrene?
The canonical SMILES for 3-diphenylphosphorylphenanthrene is O=P(c1ccccc1)(c1ccccc1)c1ccc2ccc3ccccc3c2c1.
What is the InChIKey of 3-diphenylphosphorylphenanthrene?
The InChIKey is YRFRGMUJPGLOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19OP/c27-28(22-10-3-1-4-11-22,23-12-5-2-6-13-23)24-18-17-21-16-15-20-9-7-8-14-25(20)26(21)19-24/h1-19H.
What are the key properties of 3-diphenylphosphorylphenanthrene?
3-diphenylphosphorylphenanthrene has a molecular weight of 378.41 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphorylphenanthrene is sourced from PubChem (CID 170944174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).