CID 159217202

C34H43N3O2 — CID 159217202

IUPAC—
SMILESCOc1cccc(OC)c1-c1[c-][n+](-c2c(C(C)C)cccc2C(C)C)nn1-c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C34H43N3O2/c1-21(2)25-14-11-15-26(22(3)4)33(25)36-20-29(32-30(38-9)18-13-19-31(32)39-10)37(35-36)34-27(23(5)6)16-12-17-28(34)24(7)8/h11-19,21-24H,1-10H3
InChIKeyAZNKAHRDQBNOLK-UHFFFAOYSA-N
MW525.74 g/mol
LogP8.13
Rot. Bonds9

About CID 159217202

CID 159217202 (PubChem CID 159217202) has the molecular formula C34H43N3O2 and a molecular weight of 525.74 g/mol.

Molecular Properties

Compound NameCID 159217202
PubChem CID159217202
Molecular FormulaC34H43N3O2
Molecular Weight525.74 g/mol
Exact Mass525.34
IUPAC Name—
SMILESCOc1cccc(OC)c1-c1[c-][n+](-c2c(C(C)C)cccc2C(C)C)nn1-c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C34H43N3O2/c1-21(2)25-14-11-15-26(22(3)4)33(25)36-20-29(32-30(38-9)18-13-19-31(32)39-10)37(35-36)34-27(23(5)6)16-12-17-28(34)24(7)8/h11-19,21-24H,1-10H3
InChIKeyAZNKAHRDQBNOLK-UHFFFAOYSA-N
XLogP8.13
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.74
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 159217202?
The IUPAC name of CID 159217202 (CID 159217202) is not available.
What is the SMILES notation for CID 159217202?
The canonical SMILES for CID 159217202 is COc1cccc(OC)c1-c1[c-][n+](-c2c(C(C)C)cccc2C(C)C)nn1-c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of CID 159217202?
The InChIKey is AZNKAHRDQBNOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N3O2/c1-21(2)25-14-11-15-26(22(3)4)33(25)36-20-29(32-30(38-9)18-13-19-31(32)39-10)37(35-36)34-27(23(5)6)16-12-17-28(34)24(7)8/h11-19,21-24H,1-10H3.
What are the key properties of CID 159217202?
CID 159217202 has a molecular weight of 525.74 g/mol, XLogP of 8.13, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159217202 is sourced from PubChem (CID 159217202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).