CID 24823305

C36H34N2O2 — CID 24823305

IUPAC—
SMILESCc1ccc(/C=C2\CN(C)C[C@@]3(C2=O)[C@@H](c2ccc(C)cc2)CN(C)[C@@]32C(=O)c3cccc4cccc2c34)cc1
InChIInChI=1S/C36H34N2O2/c1-23-11-15-25(16-12-23)19-28-20-37(3)22-35(33(28)39)31(26-17-13-24(2)14-18-26)21-38(4)36(35)30-10-6-8-27-7-5-9-29(32(27)30)34(36)40/h5-19,31H,20-22H2,1-4H3/b28-19+/t31-,35+,36+/m1/s1
InChIKeyKFHPNSCKGNWFFN-AJIKVVPISA-N
MW526.68 g/mol
LogP6.16
Rot. Bonds2

About CID 24823305

CID 24823305 (PubChem CID 24823305) has the molecular formula C36H34N2O2 and a molecular weight of 526.68 g/mol.

Molecular Properties

Compound NameCID 24823305
PubChem CID24823305
Molecular FormulaC36H34N2O2
Molecular Weight526.68 g/mol
Exact Mass526.26
IUPAC Name—
SMILESCc1ccc(/C=C2\CN(C)C[C@@]3(C2=O)[C@@H](c2ccc(C)cc2)CN(C)[C@@]32C(=O)c3cccc4cccc2c34)cc1
InChIInChI=1S/C36H34N2O2/c1-23-11-15-25(16-12-23)19-28-20-37(3)22-35(33(28)39)31(26-17-13-24(2)14-18-26)21-38(4)36(35)30-10-6-8-27-7-5-9-29(32(27)30)34(36)40/h5-19,31H,20-22H2,1-4H3/b28-19+/t31-,35+,36+/m1/s1
InChIKeyKFHPNSCKGNWFFN-AJIKVVPISA-N
XLogP6.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.68
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 24823305?
The IUPAC name of CID 24823305 (CID 24823305) is not available.
What is the SMILES notation for CID 24823305?
The canonical SMILES for CID 24823305 is Cc1ccc(/C=C2\CN(C)C[C@@]3(C2=O)[C@@H](c2ccc(C)cc2)CN(C)[C@@]32C(=O)c3cccc4cccc2c34)cc1.
What is the InChIKey of CID 24823305?
The InChIKey is KFHPNSCKGNWFFN-AJIKVVPISA-N. The full InChI is InChI=1S/C36H34N2O2/c1-23-11-15-25(16-12-23)19-28-20-37(3)22-35(33(28)39)31(26-17-13-24(2)14-18-26)21-38(4)36(35)30-10-6-8-27-7-5-9-29(32(27)30)34(36)40/h5-19,31H,20-22H2,1-4H3/b28-19+/t31-,35+,36+/m1/s1.
What are the key properties of CID 24823305?
CID 24823305 has a molecular weight of 526.68 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24823305 is sourced from PubChem (CID 24823305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).