5-methylpentacyclo[9.7.1.02,10.03,7.015,19]nonadeca-1(18),2(10),3(7),5,8,11,13,15(19),16-nonaene

C20H14 — CID 87823767

IUPAC5-methylpentacyclo[9.7.1.02,10.03,7.015,19]nonadeca-1(18),2(10),3(7),5,8,11,13,15(19),16-nonaene
SMILESCC1=Cc2ccc3c(c2C1)-c1cccc2cccc-3c12
InChIInChI=1S/C20H14/c1-12-10-14-8-9-16-15-6-2-4-13-5-3-7-17(19(13)15)20(16)18(14)11-12/h2-10H,11H2,1H3
InChIKeyJCGXJRFGQBPMRF-UHFFFAOYSA-N
MW254.33 g/mol
LogP5.45
Rot. Bonds

About 5-methylpentacyclo[9.7.1.02,10.03,7.015,19]nonadeca-1(18),2(10),3(7),5,8,11,13,15(19),16-nonaene

5-methylpentacyclo[9.7.1.02,10.03,7.015,19]nonadeca-1(18),2(10),3(7),5,8,11,13,15(19),16-nonaene (PubChem CID 87823767) has the molecular formula C20H14 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-methylpentacyclo[9.7.1.02,10.03,7.015,19]nonadeca-1(18),2(10),3(7),5,8,11,13,15(19),16-nonaene.

Molecular Properties

Compound Name5-methylpentacyclo[9.7.1.02,10.03,7.015,19]nonadeca-1(18),2(10),3(7),5,8,11,13,15(19),16-nonaene
PubChem CID87823767
Molecular FormulaC20H14
Molecular Weight254.33 g/mol
Exact Mass254.11
IUPAC Name5-methylpentacyclo[9.7.1.02,10.03,7.015,19]nonadeca-1(18),2(10),3(7),5,8,11,13,15(19),16-nonaene
SMILESCC1=Cc2ccc3c(c2C1)-c1cccc2cccc-3c12
InChIInChI=1S/C20H14/c1-12-10-14-8-9-16-15-6-2-4-13-5-3-7-17(19(13)15)20(16)18(14)11-12/h2-10H,11H2,1H3
InChIKeyJCGXJRFGQBPMRF-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.33
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-methylpentacyclo[9.7.1.02,10.03,7.015,19]nonadeca-1(18),2(10),3(7),5,8,11,13,15(19),16-nonaene with MolForge

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octacyclo[20.7.1.02,21.03,11.04,9.012,20.014,19.026,30]triaconta-1(29),2,4,6,8,11,14,16,18,20,22,24,26(30),27-tetradecaene
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Frequently Asked Questions

What is the IUPAC name of 5-methylpentacyclo[9.7.1.02,10.03,7.015,19]nonadeca-1(18),2(10),3(7),5,8,11,13,15(19),16-nonaene?
The IUPAC name of 5-methylpentacyclo[9.7.1.02,10.03,7.015,19]nonadeca-1(18),2(10),3(7),5,8,11,13,15(19),16-nonaene (CID 87823767) is 5-methylpentacyclo[9.7.1.02,10.03,7.015,19]nonadeca-1(18),2(10),3(7),5,8,11,13,15(19),16-nonaene.
What is the SMILES notation for 5-methylpentacyclo[9.7.1.02,10.03,7.015,19]nonadeca-1(18),2(10),3(7),5,8,11,13,15(19),16-nonaene?
The canonical SMILES for 5-methylpentacyclo[9.7.1.02,10.03,7.015,19]nonadeca-1(18),2(10),3(7),5,8,11,13,15(19),16-nonaene is CC1=Cc2ccc3c(c2C1)-c1cccc2cccc-3c12.
What is the InChIKey of 5-methylpentacyclo[9.7.1.02,10.03,7.015,19]nonadeca-1(18),2(10),3(7),5,8,11,13,15(19),16-nonaene?
The InChIKey is JCGXJRFGQBPMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14/c1-12-10-14-8-9-16-15-6-2-4-13-5-3-7-17(19(13)15)20(16)18(14)11-12/h2-10H,11H2,1H3.
What are the key properties of 5-methylpentacyclo[9.7.1.02,10.03,7.015,19]nonadeca-1(18),2(10),3(7),5,8,11,13,15(19),16-nonaene?
5-methylpentacyclo[9.7.1.02,10.03,7.015,19]nonadeca-1(18),2(10),3(7),5,8,11,13,15(19),16-nonaene has a molecular weight of 254.33 g/mol, XLogP of 5.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpentacyclo[9.7.1.02,10.03,7.015,19]nonadeca-1(18),2(10),3(7),5,8,11,13,15(19),16-nonaene is sourced from PubChem (CID 87823767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).