4-methylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),2(12),3,5,7(22),8,10,13,15,17(21),18-undecaene

C23H14 — CID 154735160

IUPAC4-methylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),2(12),3,5,7(22),8,10,13,15,17(21),18-undecaene
SMILESCc1ccc2cccc3c4c5cccc6cccc(c=4c1c23)c65
InChIInChI=1S/C23H14/c1-13-11-12-15-7-4-10-18-21(15)19(13)23-17-9-3-6-14-5-2-8-16(20(14)17)22(18)23/h2-12H,1H3
InChIKeyCEZANYZHMBVQOD-UHFFFAOYSA-N
MW290.37 g/mol
LogP6.21
Rot. Bonds

About 4-methylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),2(12),3,5,7(22),8,10,13,15,17(21),18-undecaene

4-methylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),2(12),3,5,7(22),8,10,13,15,17(21),18-undecaene (PubChem CID 154735160) has the molecular formula C23H14 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-methylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),2(12),3,5,7(22),8,10,13,15,17(21),18-undecaene.

Molecular Properties

Compound Name4-methylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),2(12),3,5,7(22),8,10,13,15,17(21),18-undecaene
PubChem CID154735160
Molecular FormulaC23H14
Molecular Weight290.37 g/mol
Exact Mass290.11
IUPAC Name4-methylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),2(12),3,5,7(22),8,10,13,15,17(21),18-undecaene
SMILESCc1ccc2cccc3c4c5cccc6cccc(c=4c1c23)c65
InChIInChI=1S/C23H14/c1-13-11-12-15-7-4-10-18-21(15)19(13)23-17-9-3-6-14-5-2-8-16(20(14)17)22(18)23/h2-12H,1H3
InChIKeyCEZANYZHMBVQOD-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.37
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-methylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),2(12),3,5,7(22),8,10,13,15,17(21),18-undecaene with MolForge

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Related Compounds

3,4-dimethylperylene
CID 20583839
4,5-dimethylphenanthrene;ethane
CID 143983787
4,21-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 177492723
9-bromo-1-methylpyrene
CID 144757480
hexacyclo[13.7.1.13,7.02,13.019,23.011,24]tetracosa-1(22),2(13),3,5,7(24),8,10,15,17,19(23),20-undecaene-12,14-dione
CID 11121132
21-methylhexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene
CID 17876
benzo[e]pyrene
CID 9128
1,8-dimethylnaphthalene;ethane
CID 91447117
1-(2,5-dimethylphenyl)perylene
CID 173065408
decacyclo[19.13.1.122,26.02,7.03,20.04,17.05,14.06,11.031,35.030,36]hexatriaconta-1(34),2,4(17),5(14),6(11),7,9,12,15,18,20,22,24,26(36),27,29,31(35),32-octadecaene
CID 14087516
heptadecacyclo[28.20.2.22,5.26,9.231,34.110,14.135,39.03,26.04,23.07,22.08,19.027,51.032,47.033,44.048,52.018,56.043,53]hexaconta-1(51),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29,31(55),32(47),33(44),34(54),35,37,39(53),40,42,45,48(52),49,57,59-triacontaene
CID 86057292
2,9,10-trimethylperylene
CID 58193405

Frequently Asked Questions

What is the IUPAC name of 4-methylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),2(12),3,5,7(22),8,10,13,15,17(21),18-undecaene?
The IUPAC name of 4-methylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),2(12),3,5,7(22),8,10,13,15,17(21),18-undecaene (CID 154735160) is 4-methylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),2(12),3,5,7(22),8,10,13,15,17(21),18-undecaene.
What is the SMILES notation for 4-methylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),2(12),3,5,7(22),8,10,13,15,17(21),18-undecaene?
The canonical SMILES for 4-methylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),2(12),3,5,7(22),8,10,13,15,17(21),18-undecaene is Cc1ccc2cccc3c4c5cccc6cccc(c=4c1c23)c65.
What is the InChIKey of 4-methylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),2(12),3,5,7(22),8,10,13,15,17(21),18-undecaene?
The InChIKey is CEZANYZHMBVQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14/c1-13-11-12-15-7-4-10-18-21(15)19(13)23-17-9-3-6-14-5-2-8-16(20(14)17)22(18)23/h2-12H,1H3.
What are the key properties of 4-methylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),2(12),3,5,7(22),8,10,13,15,17(21),18-undecaene?
4-methylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),2(12),3,5,7(22),8,10,13,15,17(21),18-undecaene has a molecular weight of 290.37 g/mol, XLogP of 6.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),2(12),3,5,7(22),8,10,13,15,17(21),18-undecaene is sourced from PubChem (CID 154735160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).