(3R,12S,18R,25R)-undecacyclo[14.10.2.26,10.220,24.02,15.03,12.04,11.05,7.017,26.018,25.019,21]dotriaconta-8,13,22,27,29,31-hexaene

C32H32 — CID 101488483

IUPAC(3R,12S,18R,25R)-undecacyclo[14.10.2.26,10.220,24.02,15.03,12.04,11.05,7.017,26.018,25.019,21]dotriaconta-8,13,22,27,29,31-hexaene
SMILESC1=CC2C3C=CC1C1C4C=CC5C6C=CC(C5C4C1C23)C1C2C3C=CC4C(C=C3)C4C2C61
InChIInChI=1S/C32H32/c1-5-15-16-6-2-13(1)23-21-11-9-19-20-10-12-22(27(19)30(21)31(23)25(15)16)29-24-14-3-7-17-18(8-4-14)26(17)32(24)28(20)29/h1-32H
InChIKeyMZVIEIUDXDSGLF-UHFFFAOYSA-N
MW416.61 g/mol
LogP5.80
Rot. Bonds

About (3R,12S,18R,25R)-undecacyclo[14.10.2.26,10.220,24.02,15.03,12.04,11.05,7.017,26.018,25.019,21]dotriaconta-8,13,22,27,29,31-hexaene

(3R,12S,18R,25R)-undecacyclo[14.10.2.26,10.220,24.02,15.03,12.04,11.05,7.017,26.018,25.019,21]dotriaconta-8,13,22,27,29,31-hexaene (PubChem CID 101488483) has the molecular formula C32H32 and a molecular weight of 416.61 g/mol. Its IUPAC name is (3R,12S,18R,25R)-undecacyclo[14.10.2.26,10.220,24.02,15.03,12.04,11.05,7.017,26.018,25.019,21]dotriaconta-8,13,22,27,29,31-hexaene.

Molecular Properties

Compound Name(3R,12S,18R,25R)-undecacyclo[14.10.2.26,10.220,24.02,15.03,12.04,11.05,7.017,26.018,25.019,21]dotriaconta-8,13,22,27,29,31-hexaene
PubChem CID101488483
Molecular FormulaC32H32
Molecular Weight416.61 g/mol
Exact Mass416.25
IUPAC Name(3R,12S,18R,25R)-undecacyclo[14.10.2.26,10.220,24.02,15.03,12.04,11.05,7.017,26.018,25.019,21]dotriaconta-8,13,22,27,29,31-hexaene
SMILESC1=CC2C3C=CC1C1C4C=CC5C6C=CC(C5C4C1C23)C1C2C3C=CC4C(C=C3)C4C2C61
InChIInChI=1S/C32H32/c1-5-15-16-6-2-13(1)23-21-11-9-19-20-10-12-22(27(19)30(21)31(23)25(15)16)29-24-14-3-7-17-18(8-4-14)26(17)32(24)28(20)29/h1-32H
InChIKeyMZVIEIUDXDSGLF-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3R,12S,18R,25R)-undecacyclo[14.10.2.26,10.220,24.02,15.03,12.04,11.05,7.017,26.018,25.019,21]dotriaconta-8,13,22,27,29,31-hexaene with MolForge

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

Launch Full Analysis

Related Compounds

(2R,7S,9R,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11,15,17,19-pentaene
CID 102306199
(2S,5S,8R,11R)-tetracyclo[6.3.1.02,11.05,12]dodeca-3,6,9-triene
CID 101404891
tetracyclo[5.4.0.02,11.03,6]undeca-4,9-dien-8-ol
CID 130151122
dimethyl hexacyclo[9.3.2.25,8.02,14.03,10.04,9]octadeca-6,12,15,17-tetraene-6,7-dicarboxylate
CID 3471455
(2Z,4Z,6Z)-9-cycloprop-2-en-1-ylbicyclo[6.1.0]nona-2,4,6-triene
CID 121002324
(1S,4R,5S,6R,7R,8R,9R,10R)-pentacyclo[6.4.0.02,10.03,7.04,9]dodec-11-ene-5,6-dicarboxylic acid
CID 98556567
(1S,2R,5R,6S,7R,8R,9S,10S)-8,9-dichlorotetracyclo[4.4.2.02,5.07,10]dodeca-3,11-diene
CID 124920621
(1S,2S,3R,4R,5S,6R,8R,9S,10S,11R,12R,13R,14S,15S)-7,7-dichlorooctacyclo[8.7.0.02,14.03,13.04,9.05,12.06,8.011,15]heptadec-16-ene
CID 129431343
(7R,10R)-12,15-dimethylheptacyclo[8.6.0.02,9.03,8.04,7.011,16.012,15]hexadec-5-ene
CID 142299213
tetracyclo[6.2.2.23,6.02,7]tetradeca-9,11,13-triene-4,5-dione
CID 14893582
(1S,2R,4aR,4bR,8aS,8bS)-1,2,4a,4b,8a,8b-hexahydrobiphenylene-1,2-diol
CID 11332959
[(1S,4R,6S,9R)-12-(hydroxymethyl)-5-tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-dienyl]methanol
CID 12573128

Frequently Asked Questions

What is the IUPAC name of (3R,12S,18R,25R)-undecacyclo[14.10.2.26,10.220,24.02,15.03,12.04,11.05,7.017,26.018,25.019,21]dotriaconta-8,13,22,27,29,31-hexaene?
The IUPAC name of (3R,12S,18R,25R)-undecacyclo[14.10.2.26,10.220,24.02,15.03,12.04,11.05,7.017,26.018,25.019,21]dotriaconta-8,13,22,27,29,31-hexaene (CID 101488483) is (3R,12S,18R,25R)-undecacyclo[14.10.2.26,10.220,24.02,15.03,12.04,11.05,7.017,26.018,25.019,21]dotriaconta-8,13,22,27,29,31-hexaene.
What is the SMILES notation for (3R,12S,18R,25R)-undecacyclo[14.10.2.26,10.220,24.02,15.03,12.04,11.05,7.017,26.018,25.019,21]dotriaconta-8,13,22,27,29,31-hexaene?
The canonical SMILES for (3R,12S,18R,25R)-undecacyclo[14.10.2.26,10.220,24.02,15.03,12.04,11.05,7.017,26.018,25.019,21]dotriaconta-8,13,22,27,29,31-hexaene is C1=CC2C3C=CC1C1C4C=CC5C6C=CC(C5C4C1C23)C1C2C3C=CC4C(C=C3)C4C2C61.
What is the InChIKey of (3R,12S,18R,25R)-undecacyclo[14.10.2.26,10.220,24.02,15.03,12.04,11.05,7.017,26.018,25.019,21]dotriaconta-8,13,22,27,29,31-hexaene?
The InChIKey is MZVIEIUDXDSGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32/c1-5-15-16-6-2-13(1)23-21-11-9-19-20-10-12-22(27(19)30(21)31(23)25(15)16)29-24-14-3-7-17-18(8-4-14)26(17)32(24)28(20)29/h1-32H.
What are the key properties of (3R,12S,18R,25R)-undecacyclo[14.10.2.26,10.220,24.02,15.03,12.04,11.05,7.017,26.018,25.019,21]dotriaconta-8,13,22,27,29,31-hexaene?
(3R,12S,18R,25R)-undecacyclo[14.10.2.26,10.220,24.02,15.03,12.04,11.05,7.017,26.018,25.019,21]dotriaconta-8,13,22,27,29,31-hexaene has a molecular weight of 416.61 g/mol, XLogP of 5.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,12S,18R,25R)-undecacyclo[14.10.2.26,10.220,24.02,15.03,12.04,11.05,7.017,26.018,25.019,21]dotriaconta-8,13,22,27,29,31-hexaene is sourced from PubChem (CID 101488483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).