18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene

C28H24 — CID 143650268

IUPAC18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene
SMILESCc1ccc2c(c1)CCc1ccccc1-c1ccccc1Cc1ccccc1-2
InChIInChI=1S/C28H24/c1-20-14-17-28-24(18-20)16-15-21-8-2-5-11-25(21)26-12-6-3-9-22(26)19-23-10-4-7-13-27(23)28/h2-14,17-18H,15-16,19H2,1H3
InChIKeyOSDICSGRRNZADI-UHFFFAOYSA-N
MW360.50 g/mol
LogP7.02
Rot. Bonds

About 18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene

18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene (PubChem CID 143650268) has the molecular formula C28H24 and a molecular weight of 360.50 g/mol. Its IUPAC name is 18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene.

Molecular Properties

Compound Name18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene
PubChem CID143650268
Molecular FormulaC28H24
Molecular Weight360.50 g/mol
Exact Mass360.19
IUPAC Name18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene
SMILESCc1ccc2c(c1)CCc1ccccc1-c1ccccc1Cc1ccccc1-2
InChIInChI=1S/C28H24/c1-20-14-17-28-24(18-20)16-15-21-8-2-5-11-25(21)26-12-6-3-9-22(26)19-23-10-4-7-13-27(23)28/h2-14,17-18H,15-16,19H2,1H3
InChIKeyOSDICSGRRNZADI-UHFFFAOYSA-N
XLogP7.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene with MolForge

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Related Compounds

5-methyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 90783732
2,7-dimethyl-9,10-dihydrophenanthrene
CID 23550290
2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368
ethane;2-methyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene
CID 91190227
3,10-dimethyl-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene
CID 21042275
2-(trideuteriomethyl)-9H-fluorene
CID 159803322
bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene
CID 161235205
CID 173468028
CID 173468028
5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 23561339
10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene
CID 157144570
bis(2,7-dimethyl-9H-fluorene);ethane;methane
CID 159270379
10-methyl-7,12-dihydroindeno[1,2-a]fluorene
CID 161385302

Frequently Asked Questions

What is the IUPAC name of 18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene?
The IUPAC name of 18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene (CID 143650268) is 18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene.
What is the SMILES notation for 18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene?
The canonical SMILES for 18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene is Cc1ccc2c(c1)CCc1ccccc1-c1ccccc1Cc1ccccc1-2.
What is the InChIKey of 18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene?
The InChIKey is OSDICSGRRNZADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24/c1-20-14-17-28-24(18-20)16-15-21-8-2-5-11-25(21)26-12-6-3-9-22(26)19-23-10-4-7-13-27(23)28/h2-14,17-18H,15-16,19H2,1H3.
What are the key properties of 18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene?
18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene has a molecular weight of 360.50 g/mol, XLogP of 7.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene is sourced from PubChem (CID 143650268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).