2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-methylphenyl]ethenyl-dimethyl-methylidene-λ5-phosphane

C19H23Cl2N2P — CID 59933028

IUPAC2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-methylphenyl]ethenyl-dimethyl-methylidene-λ5-phosphane
SMILESC=P(C)(C)C=Cc1cc(-n2nc3c(c2Cl)CCCC3)c(C)cc1Cl
InChIInChI=1S/C19H23Cl2N2P/c1-13-11-16(20)14(9-10-24(2,3)4)12-18(13)23-19(21)15-7-5-6-8-17(15)22-23/h9-12H,2,5-8H2,1,3-4H3
InChIKeyCWPHNTSHIMTWDH-UHFFFAOYSA-N
MW381.29 g/mol
LogP6.05
Rot. Bonds3

About 2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-methylphenyl]ethenyl-dimethyl-methylidene-λ5-phosphane

2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-methylphenyl]ethenyl-dimethyl-methylidene-λ5-phosphane (PubChem CID 59933028) has the molecular formula C19H23Cl2N2P and a molecular weight of 381.29 g/mol. Its IUPAC name is 2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-methylphenyl]ethenyl-dimethyl-methylidene-λ5-phosphane.

Molecular Properties

Compound Name2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-methylphenyl]ethenyl-dimethyl-methylidene-λ5-phosphane
PubChem CID59933028
Molecular FormulaC19H23Cl2N2P
Molecular Weight381.29 g/mol
Exact Mass380.10
IUPAC Name2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-methylphenyl]ethenyl-dimethyl-methylidene-λ5-phosphane
SMILESC=P(C)(C)C=Cc1cc(-n2nc3c(c2Cl)CCCC3)c(C)cc1Cl
InChIInChI=1S/C19H23Cl2N2P/c1-13-11-16(20)14(9-10-24(2,3)4)12-18(13)23-19(21)15-7-5-6-8-17(15)22-23/h9-12H,2,5-8H2,1,3-4H3
InChIKeyCWPHNTSHIMTWDH-UHFFFAOYSA-N
XLogP6.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.29
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-methylphenyl]ethenyl-dimethyl-methylidene-λ5-phosphane?
The IUPAC name of 2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-methylphenyl]ethenyl-dimethyl-methylidene-λ5-phosphane (CID 59933028) is 2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-methylphenyl]ethenyl-dimethyl-methylidene-λ5-phosphane.
What is the SMILES notation for 2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-methylphenyl]ethenyl-dimethyl-methylidene-λ5-phosphane?
The canonical SMILES for 2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-methylphenyl]ethenyl-dimethyl-methylidene-λ5-phosphane is C=P(C)(C)C=Cc1cc(-n2nc3c(c2Cl)CCCC3)c(C)cc1Cl.
What is the InChIKey of 2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-methylphenyl]ethenyl-dimethyl-methylidene-λ5-phosphane?
The InChIKey is CWPHNTSHIMTWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N2P/c1-13-11-16(20)14(9-10-24(2,3)4)12-18(13)23-19(21)15-7-5-6-8-17(15)22-23/h9-12H,2,5-8H2,1,3-4H3.
What are the key properties of 2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-methylphenyl]ethenyl-dimethyl-methylidene-λ5-phosphane?
2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-methylphenyl]ethenyl-dimethyl-methylidene-λ5-phosphane has a molecular weight of 381.29 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(3-chloro-4,5,6,7-tetrahydroindazol-2-yl)-4-methylphenyl]ethenyl-dimethyl-methylidene-λ5-phosphane is sourced from PubChem (CID 59933028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).