CID 11812335

C30H23NO3 — CID 11812335

IUPAC—
SMILESCN1C[C@@H](c2ccccc2)[C@@]2(COc3ccccc3C2=O)C12C(=O)c1cccc3cccc2c13
InChIInChI=1S/C30H23NO3/c1-31-17-24(19-9-3-2-4-10-19)29(18-34-25-16-6-5-13-21(25)27(29)32)30(31)23-15-8-12-20-11-7-14-22(26(20)23)28(30)33/h2-16,24H,17-18H2,1H3/t24-,29+,30?/m0/s1
InChIKeyXEZVONLSWISHIC-SVLXRIGYSA-N
MW445.52 g/mol
LogP5.22
Rot. Bonds1

About CID 11812335

CID 11812335 (PubChem CID 11812335) has the molecular formula C30H23NO3 and a molecular weight of 445.52 g/mol.

Molecular Properties

Compound NameCID 11812335
PubChem CID11812335
Molecular FormulaC30H23NO3
Molecular Weight445.52 g/mol
Exact Mass445.17
IUPAC Name—
SMILESCN1C[C@@H](c2ccccc2)[C@@]2(COc3ccccc3C2=O)C12C(=O)c1cccc3cccc2c13
InChIInChI=1S/C30H23NO3/c1-31-17-24(19-9-3-2-4-10-19)29(18-34-25-16-6-5-13-21(25)27(29)32)30(31)23-15-8-12-20-11-7-14-22(26(20)23)28(30)33/h2-16,24H,17-18H2,1H3/t24-,29+,30?/m0/s1
InChIKeyXEZVONLSWISHIC-SVLXRIGYSA-N
XLogP5.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 11812335?
The IUPAC name of CID 11812335 (CID 11812335) is not available.
What is the SMILES notation for CID 11812335?
The canonical SMILES for CID 11812335 is CN1C[C@@H](c2ccccc2)[C@@]2(COc3ccccc3C2=O)C12C(=O)c1cccc3cccc2c13.
What is the InChIKey of CID 11812335?
The InChIKey is XEZVONLSWISHIC-SVLXRIGYSA-N. The full InChI is InChI=1S/C30H23NO3/c1-31-17-24(19-9-3-2-4-10-19)29(18-34-25-16-6-5-13-21(25)27(29)32)30(31)23-15-8-12-20-11-7-14-22(26(20)23)28(30)33/h2-16,24H,17-18H2,1H3/t24-,29+,30?/m0/s1.
What are the key properties of CID 11812335?
CID 11812335 has a molecular weight of 445.52 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11812335 is sourced from PubChem (CID 11812335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).