CID 70012958

C27H23LiO3P — CID 70012958

IUPAC—
SMILESCc1cccc(C)c1C(=O)Pc1ccc(Oc2ccccc2)cc1Oc1ccccc1.[Li]
InChIInChI=1S/C27H23O3P.Li/c1-19-10-9-11-20(2)26(19)27(28)31-25-17-16-23(29-21-12-5-3-6-13-21)18-24(25)30-22-14-7-4-8-15-22;/h3-18,31H,1-2H3;
InChIKeyRXFAXEYHAZZUGW-UHFFFAOYSA-N
MW433.39 g/mol
LogP6.65
Rot. Bonds7

About CID 70012958

CID 70012958 (PubChem CID 70012958) has the molecular formula C27H23LiO3P and a molecular weight of 433.39 g/mol.

Molecular Properties

Compound NameCID 70012958
PubChem CID70012958
Molecular FormulaC27H23LiO3P
Molecular Weight433.39 g/mol
Exact Mass433.15
IUPAC Name—
SMILESCc1cccc(C)c1C(=O)Pc1ccc(Oc2ccccc2)cc1Oc1ccccc1.[Li]
InChIInChI=1S/C27H23O3P.Li/c1-19-10-9-11-20(2)26(19)27(28)31-25-17-16-23(29-21-12-5-3-6-13-21)18-24(25)30-22-14-7-4-8-15-22;/h3-18,31H,1-2H3;
InChIKeyRXFAXEYHAZZUGW-UHFFFAOYSA-N
XLogP6.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.39
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

lithium;(2,6-dimethylphenyl)-(2,4-diphenoxyphenyl)phosphanylmethanone;hydride
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CID 70014914
CID 70014914
lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,6-dimethylphenyl)methanone
CID 18514058
CID 70016722
CID 70016722
[3-benzoyloxy-4-(4-tert-butyl-2,6-dimethylbenzoyl)phosphanylphenyl] benzoate
CID 139895712
CID 70014312
CID 70014312
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
(2,6-dimethylphenyl)-(5-phenoxy-2-phosphanylphenyl)methanone
CID 174396027
(4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513535
(2-chloro-4-phenoxyphenyl)phosphanyl-(2-methoxyphenyl)methanone
CID 18513550
CID 70014251
CID 70014251
lithium [2,4-di(propan-2-yloxy)phenyl]phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514113

Frequently Asked Questions

What is the IUPAC name of CID 70012958?
The IUPAC name of CID 70012958 (CID 70012958) is not available.
What is the SMILES notation for CID 70012958?
The canonical SMILES for CID 70012958 is Cc1cccc(C)c1C(=O)Pc1ccc(Oc2ccccc2)cc1Oc1ccccc1.[Li].
What is the InChIKey of CID 70012958?
The InChIKey is RXFAXEYHAZZUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23O3P.Li/c1-19-10-9-11-20(2)26(19)27(28)31-25-17-16-23(29-21-12-5-3-6-13-21)18-24(25)30-22-14-7-4-8-15-22;/h3-18,31H,1-2H3;.
What are the key properties of CID 70012958?
CID 70012958 has a molecular weight of 433.39 g/mol, XLogP of 6.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70012958 is sourced from PubChem (CID 70012958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).