CID 15963284

C29H27NO2 — CID 15963284

IUPAC—
SMILESc1ccc(N2c3ccccc3C3(OOC34C3CC5CC(C3)CC4C5)c3ccccc32)cc1
InChIInChI=1S/C29H27NO2/c1-2-8-23(9-3-1)30-26-12-6-4-10-24(26)29(25-11-5-7-13-27(25)30)28(31-32-29)21-15-19-14-20(17-21)18-22(28)16-19/h1-13,19-22H,14-18H2
InChIKeyWMUGHJLNGMPKCS-UHFFFAOYSA-N
MW421.54 g/mol
LogP6.87
Rot. Bonds1

About CID 15963284

CID 15963284 (PubChem CID 15963284) has the molecular formula C29H27NO2 and a molecular weight of 421.54 g/mol.

Molecular Properties

Compound NameCID 15963284
PubChem CID15963284
Molecular FormulaC29H27NO2
Molecular Weight421.54 g/mol
Exact Mass421.20
IUPAC Name—
SMILESc1ccc(N2c3ccccc3C3(OOC34C3CC5CC(C3)CC4C5)c3ccccc32)cc1
InChIInChI=1S/C29H27NO2/c1-2-8-23(9-3-1)30-26-12-6-4-10-24(26)29(25-11-5-7-13-27(25)30)28(31-32-29)21-15-19-14-20(17-21)18-22(28)16-19/h1-13,19-22H,14-18H2
InChIKeyWMUGHJLNGMPKCS-UHFFFAOYSA-N
XLogP6.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 15963284?
The IUPAC name of CID 15963284 (CID 15963284) is not available.
What is the SMILES notation for CID 15963284?
The canonical SMILES for CID 15963284 is c1ccc(N2c3ccccc3C3(OOC34C3CC5CC(C3)CC4C5)c3ccccc32)cc1.
What is the InChIKey of CID 15963284?
The InChIKey is WMUGHJLNGMPKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO2/c1-2-8-23(9-3-1)30-26-12-6-4-10-24(26)29(25-11-5-7-13-27(25)30)28(31-32-29)21-15-19-14-20(17-21)18-22(28)16-19/h1-13,19-22H,14-18H2.
What are the key properties of CID 15963284?
CID 15963284 has a molecular weight of 421.54 g/mol, XLogP of 6.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15963284 is sourced from PubChem (CID 15963284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).