23,24-dimethoxypentacyclo[13.7.1.14,12.05,10.017,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene

C26H24O2 — CID 102091436

IUPAC23,24-dimethoxypentacyclo[13.7.1.14,12.05,10.017,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene
SMILESCOc1c2cc3ccccc3c1CCc1c(OC)c(cc3ccccc13)CC2
InChIInChI=1S/C26H24O2/c1-27-25-19-11-12-20-16-18-8-4-6-10-22(18)24(26(20)28-2)14-13-23(25)21-9-5-3-7-17(21)15-19/h3-10,15-16H,11-14H2,1-2H3
InChIKeyCNTOKYYININAIL-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.89
Rot. Bonds2

About 23,24-dimethoxypentacyclo[13.7.1.14,12.05,10.017,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene

23,24-dimethoxypentacyclo[13.7.1.14,12.05,10.017,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene (PubChem CID 102091436) has the molecular formula C26H24O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 23,24-dimethoxypentacyclo[13.7.1.14,12.05,10.017,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene.

Molecular Properties

Compound Name23,24-dimethoxypentacyclo[13.7.1.14,12.05,10.017,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene
PubChem CID102091436
Molecular FormulaC26H24O2
Molecular Weight368.48 g/mol
Exact Mass368.18
IUPAC Name23,24-dimethoxypentacyclo[13.7.1.14,12.05,10.017,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene
SMILESCOc1c2cc3ccccc3c1CCc1c(OC)c(cc3ccccc13)CC2
InChIInChI=1S/C26H24O2/c1-27-25-19-11-12-20-16-18-8-4-6-10-22(18)24(26(20)28-2)14-13-23(25)21-9-5-3-7-17(21)15-19/h3-10,15-16H,11-14H2,1-2H3
InChIKeyCNTOKYYININAIL-UHFFFAOYSA-N
XLogP5.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 23,24-dimethoxypentacyclo[13.7.1.14,12.05,10.017,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 23,24-dimethoxypentacyclo[13.7.1.14,12.05,10.017,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene?
The IUPAC name of 23,24-dimethoxypentacyclo[13.7.1.14,12.05,10.017,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene (CID 102091436) is 23,24-dimethoxypentacyclo[13.7.1.14,12.05,10.017,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene.
What is the SMILES notation for 23,24-dimethoxypentacyclo[13.7.1.14,12.05,10.017,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene?
The canonical SMILES for 23,24-dimethoxypentacyclo[13.7.1.14,12.05,10.017,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene is COc1c2cc3ccccc3c1CCc1c(OC)c(cc3ccccc13)CC2.
What is the InChIKey of 23,24-dimethoxypentacyclo[13.7.1.14,12.05,10.017,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene?
The InChIKey is CNTOKYYININAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O2/c1-27-25-19-11-12-20-16-18-8-4-6-10-22(18)24(26(20)28-2)14-13-23(25)21-9-5-3-7-17(21)15-19/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 23,24-dimethoxypentacyclo[13.7.1.14,12.05,10.017,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene?
23,24-dimethoxypentacyclo[13.7.1.14,12.05,10.017,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene has a molecular weight of 368.48 g/mol, XLogP of 5.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23,24-dimethoxypentacyclo[13.7.1.14,12.05,10.017,22]tetracosa-1(23),4(24),5,7,9,11,15,17,19,21-decaene is sourced from PubChem (CID 102091436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).