CID 10918811

C37H32N2O4 — CID 10918811

IUPAC—
SMILESCC1(C)OC2=C[C@@]3(C(=O)N(Cc4ccccc4)c4ccccc43)[C@@]3(C[C@@H]2O1)C(=O)N(Cc1ccccc1)c1ccccc13
InChIInChI=1S/C37H32N2O4/c1-35(2)42-31-21-36(27-17-9-11-19-29(27)38(33(36)40)23-25-13-5-3-6-14-25)37(22-32(31)43-35)28-18-10-12-20-30(28)39(34(37)41)24-26-15-7-4-8-16-26/h3-21,32H,22-24H2,1-2H3/t32-,36+,37+/m0/s1
InChIKeyOTVNLYAGLKCKQF-PCMUHZCQSA-N
MW568.67 g/mol
LogP6.40
Rot. Bonds4

About CID 10918811

CID 10918811 (PubChem CID 10918811) has the molecular formula C37H32N2O4 and a molecular weight of 568.67 g/mol.

Molecular Properties

Compound NameCID 10918811
PubChem CID10918811
Molecular FormulaC37H32N2O4
Molecular Weight568.67 g/mol
Exact Mass568.24
IUPAC Name—
SMILESCC1(C)OC2=C[C@@]3(C(=O)N(Cc4ccccc4)c4ccccc43)[C@@]3(C[C@@H]2O1)C(=O)N(Cc1ccccc1)c1ccccc13
InChIInChI=1S/C37H32N2O4/c1-35(2)42-31-21-36(27-17-9-11-19-29(27)38(33(36)40)23-25-13-5-3-6-14-25)37(22-32(31)43-35)28-18-10-12-20-30(28)39(34(37)41)24-26-15-7-4-8-16-26/h3-21,32H,22-24H2,1-2H3/t32-,36+,37+/m0/s1
InChIKeyOTVNLYAGLKCKQF-PCMUHZCQSA-N
XLogP6.40
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.67
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 10918811?
The IUPAC name of CID 10918811 (CID 10918811) is not available.
What is the SMILES notation for CID 10918811?
The canonical SMILES for CID 10918811 is CC1(C)OC2=C[C@@]3(C(=O)N(Cc4ccccc4)c4ccccc43)[C@@]3(C[C@@H]2O1)C(=O)N(Cc1ccccc1)c1ccccc13.
What is the InChIKey of CID 10918811?
The InChIKey is OTVNLYAGLKCKQF-PCMUHZCQSA-N. The full InChI is InChI=1S/C37H32N2O4/c1-35(2)42-31-21-36(27-17-9-11-19-29(27)38(33(36)40)23-25-13-5-3-6-14-25)37(22-32(31)43-35)28-18-10-12-20-30(28)39(34(37)41)24-26-15-7-4-8-16-26/h3-21,32H,22-24H2,1-2H3/t32-,36+,37+/m0/s1.
What are the key properties of CID 10918811?
CID 10918811 has a molecular weight of 568.67 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10918811 is sourced from PubChem (CID 10918811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).