CID 11466603

C30H27Cl3NO — CID 11466603

IUPAC—
SMILESCCCC(C)(C)O[N]c1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C30H27Cl3NO/c1-4-17-30(2,3)35-34-29-27(21-7-13-25(32)14-8-21)18-23(20-5-11-24(31)12-6-20)19-28(29)22-9-15-26(33)16-10-22/h5-16,18-19H,4,17H2,1-3H3
InChIKeyLMNRSDQEMYNXED-UHFFFAOYSA-N
MW523.91 g/mol
LogP10.39
Rot. Bonds8

About CID 11466603

CID 11466603 (PubChem CID 11466603) has the molecular formula C30H27Cl3NO and a molecular weight of 523.91 g/mol.

Molecular Properties

Compound NameCID 11466603
PubChem CID11466603
Molecular FormulaC30H27Cl3NO
Molecular Weight523.91 g/mol
Exact Mass522.12
IUPAC Name—
SMILESCCCC(C)(C)O[N]c1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C30H27Cl3NO/c1-4-17-30(2,3)35-34-29-27(21-7-13-25(32)14-8-21)18-23(20-5-11-24(31)12-6-20)19-28(29)22-9-15-26(33)16-10-22/h5-16,18-19H,4,17H2,1-3H3
InChIKeyLMNRSDQEMYNXED-UHFFFAOYSA-N
XLogP10.39
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.91
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11466603?
The IUPAC name of CID 11466603 (CID 11466603) is not available.
What is the SMILES notation for CID 11466603?
The canonical SMILES for CID 11466603 is CCCC(C)(C)O[N]c1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of CID 11466603?
The InChIKey is LMNRSDQEMYNXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27Cl3NO/c1-4-17-30(2,3)35-34-29-27(21-7-13-25(32)14-8-21)18-23(20-5-11-24(31)12-6-20)19-28(29)22-9-15-26(33)16-10-22/h5-16,18-19H,4,17H2,1-3H3.
What are the key properties of CID 11466603?
CID 11466603 has a molecular weight of 523.91 g/mol, XLogP of 10.39, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11466603 is sourced from PubChem (CID 11466603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).