CID 70016889

C34H53LiO4P — CID 70016889

IUPAC—
SMILESCc1cc(C(C)(C)C)cc(C)c1C(=O)Pc1c(OCCC(C)C)cc(OCCC(C)C)cc1OCCC(C)C.[Li]
InChIInChI=1S/C34H53O4P.Li/c1-22(2)12-15-36-28-20-29(37-16-13-23(3)4)32(30(21-28)38-17-14-24(5)6)39-33(35)31-25(7)18-27(19-26(31)8)34(9,10)11;/h18-24,39H,12-17H2,1-11H3;
InChIKeyBGMZFMRXVBBBGG-UHFFFAOYSA-N
MW563.71 g/mol
LogP8.64
Rot. Bonds15

About CID 70016889

CID 70016889 (PubChem CID 70016889) has the molecular formula C34H53LiO4P and a molecular weight of 563.71 g/mol.

Molecular Properties

Compound NameCID 70016889
PubChem CID70016889
Molecular FormulaC34H53LiO4P
Molecular Weight563.71 g/mol
Exact Mass563.38
IUPAC Name—
SMILESCc1cc(C(C)(C)C)cc(C)c1C(=O)Pc1c(OCCC(C)C)cc(OCCC(C)C)cc1OCCC(C)C.[Li]
InChIInChI=1S/C34H53O4P.Li/c1-22(2)12-15-36-28-20-29(37-16-13-23(3)4)32(30(21-28)38-17-14-24(5)6)39-33(35)31-25(7)18-27(19-26(31)8)34(9,10)11;/h18-24,39H,12-17H2,1-11H3;
InChIKeyBGMZFMRXVBBBGG-UHFFFAOYSA-N
XLogP8.64
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.71
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 70016889 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone
CID 18514442
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-trihexoxyphenyl)phosphanylmethanone;hydride
CID 173245452
4-[2,4,6-tris(3-methylbutoxy)phenyl]phosphanylcarbonylphenolate
CID 141016809
lithium (4-tert-butyl-2,6-dimethylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone
CID 22460046
lithium;hydride;(2,4,6-trimethylphenyl)-(2,4,6-tripentoxyphenyl)phosphanylmethanone
CID 173244414
[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
CID 70015718
lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244643
CID 70015738
CID 70015738
CID 70014164
CID 70014164
lithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 173244960
lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18515180
[2,4-bis(3-methylbutoxy)phenyl]phosphanyl-[2,6-bis(trifluoromethyl)phenyl]methanone
CID 18515186

Frequently Asked Questions

What is the IUPAC name of CID 70016889?
The IUPAC name of CID 70016889 (CID 70016889) is not available.
What is the SMILES notation for CID 70016889?
The canonical SMILES for CID 70016889 is Cc1cc(C(C)(C)C)cc(C)c1C(=O)Pc1c(OCCC(C)C)cc(OCCC(C)C)cc1OCCC(C)C.[Li].
What is the InChIKey of CID 70016889?
The InChIKey is BGMZFMRXVBBBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H53O4P.Li/c1-22(2)12-15-36-28-20-29(37-16-13-23(3)4)32(30(21-28)38-17-14-24(5)6)39-33(35)31-25(7)18-27(19-26(31)8)34(9,10)11;/h18-24,39H,12-17H2,1-11H3;.
What are the key properties of CID 70016889?
CID 70016889 has a molecular weight of 563.71 g/mol, XLogP of 8.64, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70016889 is sourced from PubChem (CID 70016889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).