CID 11764088

C52H58N2O2 — CID 11764088

IUPAC—
SMILESCC(C)(CCC(C)(C)O[N]c1c(-c2ccccc2)cc(-c2ccccc2)cc1C(C)(C)C)O[N]c1c(-c2ccccc2)cc(-c2ccccc2)cc1C(C)(C)C
InChIInChI=1S/C52H58N2O2/c1-49(2,3)45-35-41(37-23-15-11-16-24-37)33-43(39-27-19-13-20-28-39)47(45)53-55-51(7,8)31-32-52(9,10)56-54-48-44(40-29-21-14-22-30-40)34-42(36-46(48)50(4,5)6)38-25-17-12-18-26-38/h11-30,33-36H,31-32H2,1-10H3
InChIKeyCGLCBMPPTVVUMI-UHFFFAOYSA-N
MW743.05 g/mol
LogP14.32
Rot. Bonds13

About CID 11764088

CID 11764088 (PubChem CID 11764088) has the molecular formula C52H58N2O2 and a molecular weight of 743.05 g/mol.

Molecular Properties

Compound NameCID 11764088
PubChem CID11764088
Molecular FormulaC52H58N2O2
Molecular Weight743.05 g/mol
Exact Mass742.45
IUPAC Name—
SMILESCC(C)(CCC(C)(C)O[N]c1c(-c2ccccc2)cc(-c2ccccc2)cc1C(C)(C)C)O[N]c1c(-c2ccccc2)cc(-c2ccccc2)cc1C(C)(C)C
InChIInChI=1S/C52H58N2O2/c1-49(2,3)45-35-41(37-23-15-11-16-24-37)33-43(39-27-19-13-20-28-39)47(45)53-55-51(7,8)31-32-52(9,10)56-54-48-44(40-29-21-14-22-30-40)34-42(36-46(48)50(4,5)6)38-25-17-12-18-26-38/h11-30,33-36H,31-32H2,1-10H3
InChIKeyCGLCBMPPTVVUMI-UHFFFAOYSA-N
XLogP14.32
TPSA46.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.05
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 11764088?
The IUPAC name of CID 11764088 (CID 11764088) is not available.
What is the SMILES notation for CID 11764088?
The canonical SMILES for CID 11764088 is CC(C)(CCC(C)(C)O[N]c1c(-c2ccccc2)cc(-c2ccccc2)cc1C(C)(C)C)O[N]c1c(-c2ccccc2)cc(-c2ccccc2)cc1C(C)(C)C.
What is the InChIKey of CID 11764088?
The InChIKey is CGLCBMPPTVVUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H58N2O2/c1-49(2,3)45-35-41(37-23-15-11-16-24-37)33-43(39-27-19-13-20-28-39)47(45)53-55-51(7,8)31-32-52(9,10)56-54-48-44(40-29-21-14-22-30-40)34-42(36-46(48)50(4,5)6)38-25-17-12-18-26-38/h11-30,33-36H,31-32H2,1-10H3.
What are the key properties of CID 11764088?
CID 11764088 has a molecular weight of 743.05 g/mol, XLogP of 14.32, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11764088 is sourced from PubChem (CID 11764088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).