CID 11060611

C35H30N2O4 — CID 11060611

IUPAC—
SMILESCOc1ccc([C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@]23C(=O)c2ccccc2OC3c2ccccc2)cc1
InChIInChI=1S/C35H30N2O4/c1-40-24-19-17-22(18-20-24)30-28-15-9-21-37(28)35(26-13-6-7-14-27(26)36-33(35)39)34(30)31(38)25-12-5-8-16-29(25)41-32(34)23-10-3-2-4-11-23/h2-8,10-14,16-20,28,30,32H,9,15,21H2,1H3,(H,36,39)/t28-,30-,32?,34+,35+/m1/s1
InChIKeyVLSJZIMCLIPGLA-DAAXGESKSA-N
MW542.64 g/mol
LogP6.11
Rot. Bonds3

About CID 11060611

CID 11060611 (PubChem CID 11060611) has the molecular formula C35H30N2O4 and a molecular weight of 542.64 g/mol.

Molecular Properties

Compound NameCID 11060611
PubChem CID11060611
Molecular FormulaC35H30N2O4
Molecular Weight542.64 g/mol
Exact Mass542.22
IUPAC Name—
SMILESCOc1ccc([C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@]23C(=O)c2ccccc2OC3c2ccccc2)cc1
InChIInChI=1S/C35H30N2O4/c1-40-24-19-17-22(18-20-24)30-28-15-9-21-37(28)35(26-13-6-7-14-27(26)36-33(35)39)34(30)31(38)25-12-5-8-16-29(25)41-32(34)23-10-3-2-4-11-23/h2-8,10-14,16-20,28,30,32H,9,15,21H2,1H3,(H,36,39)/t28-,30-,32?,34+,35+/m1/s1
InChIKeyVLSJZIMCLIPGLA-DAAXGESKSA-N
XLogP6.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.64
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 11060611?
The IUPAC name of CID 11060611 (CID 11060611) is not available.
What is the SMILES notation for CID 11060611?
The canonical SMILES for CID 11060611 is COc1ccc([C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@]23C(=O)c2ccccc2OC3c2ccccc2)cc1.
What is the InChIKey of CID 11060611?
The InChIKey is VLSJZIMCLIPGLA-DAAXGESKSA-N. The full InChI is InChI=1S/C35H30N2O4/c1-40-24-19-17-22(18-20-24)30-28-15-9-21-37(28)35(26-13-6-7-14-27(26)36-33(35)39)34(30)31(38)25-12-5-8-16-29(25)41-32(34)23-10-3-2-4-11-23/h2-8,10-14,16-20,28,30,32H,9,15,21H2,1H3,(H,36,39)/t28-,30-,32?,34+,35+/m1/s1.
What are the key properties of CID 11060611?
CID 11060611 has a molecular weight of 542.64 g/mol, XLogP of 6.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11060611 is sourced from PubChem (CID 11060611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).