CID 102409239

C27H12Cl8N — CID 102409239

IUPAC—
SMILESClc1cc(Cl)c([C](c2c(Cl)cc(Cl)cc2Cl)c2c(Cl)cc(-n3ccc4ccccc43)cc2Cl)c(Cl)c1
InChIInChI=1S/C27H12Cl8N/c28-14-7-17(30)24(18(31)8-14)27(25-19(32)9-15(29)10-20(25)33)26-21(34)11-16(12-22(26)35)36-6-5-13-3-1-2-4-23(13)36/h1-12H
InChIKeyUWROFVPBWWGFSZ-UHFFFAOYSA-N
MW634.02 g/mol
LogP11.88
Rot. Bonds4

About CID 102409239

CID 102409239 (PubChem CID 102409239) has the molecular formula C27H12Cl8N and a molecular weight of 634.02 g/mol.

Molecular Properties

Compound NameCID 102409239
PubChem CID102409239
Molecular FormulaC27H12Cl8N
Molecular Weight634.02 g/mol
Exact Mass629.85
IUPAC Name—
SMILESClc1cc(Cl)c([C](c2c(Cl)cc(Cl)cc2Cl)c2c(Cl)cc(-n3ccc4ccccc43)cc2Cl)c(Cl)c1
InChIInChI=1S/C27H12Cl8N/c28-14-7-17(30)24(18(31)8-14)27(25-19(32)9-15(29)10-20(25)33)26-21(34)11-16(12-22(26)35)36-6-5-13-3-1-2-4-23(13)36/h1-12H
InChIKeyUWROFVPBWWGFSZ-UHFFFAOYSA-N
XLogP11.88
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.02
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 102409239?
The IUPAC name of CID 102409239 (CID 102409239) is not available.
What is the SMILES notation for CID 102409239?
The canonical SMILES for CID 102409239 is Clc1cc(Cl)c([C](c2c(Cl)cc(Cl)cc2Cl)c2c(Cl)cc(-n3ccc4ccccc43)cc2Cl)c(Cl)c1.
What is the InChIKey of CID 102409239?
The InChIKey is UWROFVPBWWGFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H12Cl8N/c28-14-7-17(30)24(18(31)8-14)27(25-19(32)9-15(29)10-20(25)33)26-21(34)11-16(12-22(26)35)36-6-5-13-3-1-2-4-23(13)36/h1-12H.
What are the key properties of CID 102409239?
CID 102409239 has a molecular weight of 634.02 g/mol, XLogP of 11.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102409239 is sourced from PubChem (CID 102409239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).