10,10,15-trimethylpentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene

C25H24 — CID 142288781

IUPAC10,10,15-trimethylpentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene
SMILESCC1Cc2ccccc2-c2cc3c(cc2C1)C(C)(C)c1ccccc1-3
InChIInChI=1S/C25H24/c1-16-12-17-8-4-5-9-19(17)21-15-22-20-10-6-7-11-23(20)25(2,3)24(22)14-18(21)13-16/h4-11,14-16H,12-13H2,1-3H3
InChIKeyLGPKNXLZZNIXFL-UHFFFAOYSA-N
MW324.47 g/mol
LogP6.39
Rot. Bonds

About 10,10,15-trimethylpentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene

10,10,15-trimethylpentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene (PubChem CID 142288781) has the molecular formula C25H24 and a molecular weight of 324.47 g/mol. Its IUPAC name is 10,10,15-trimethylpentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene.

Molecular Properties

Compound Name10,10,15-trimethylpentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene
PubChem CID142288781
Molecular FormulaC25H24
Molecular Weight324.47 g/mol
Exact Mass324.19
IUPAC Name10,10,15-trimethylpentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene
SMILESCC1Cc2ccccc2-c2cc3c(cc2C1)C(C)(C)c1ccccc1-3
InChIInChI=1S/C25H24/c1-16-12-17-8-4-5-9-19(17)21-15-22-20-10-6-7-11-23(20)25(2,3)24(22)14-18(21)13-16/h4-11,14-16H,12-13H2,1-3H3
InChIKeyLGPKNXLZZNIXFL-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

28,28-dimethyloctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1,3(16),4,6,8,10,12,14,17,19,21(29),22,24,26,30-pentadecaene
CID 157108235
12,12,28,28,44,44,60,60-octamethylheptadecacyclo[48.14.0.02,17.03,15.05,13.06,11.018,33.019,31.021,29.022,27.034,49.035,47.037,45.038,43.051,63.053,61.054,59]tetrahexaconta-1(50),2(17),3,5(13),6,8,10,14,18(33),19,21(29),22,24,26,30,34(49),35,37(45),38,40,42,46,51,53(61),54,56,58,62-octacosaene
CID 102210401
9,9-dimethyl-2-(4-methylcyclohexyl)fluorene
CID 157150008
2-(9H-fluoren-3-yl)-9,9-dimethylfluorene
CID 144953405
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
bromomethane;2,7-dibromo-9,9-dimethylfluorene;9,9-dimethylfluorene;9H-fluorene;molecular bromine
CID 159345620
2-[3-(10,10-dimethyl-16-pentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 145018243
10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;ethane
CID 91112944
2,3-dimethoxy-9,9-dimethylfluorene
CID 134997139
9-(10,10-dimethyl-15-triphenylen-2-yl-19-pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaenyl)-3,6-diphenylcarbazole
CID 123541613
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238

Frequently Asked Questions

What is the IUPAC name of 10,10,15-trimethylpentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene?
The IUPAC name of 10,10,15-trimethylpentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene (CID 142288781) is 10,10,15-trimethylpentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene.
What is the SMILES notation for 10,10,15-trimethylpentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene?
The canonical SMILES for 10,10,15-trimethylpentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene is CC1Cc2ccccc2-c2cc3c(cc2C1)C(C)(C)c1ccccc1-3.
What is the InChIKey of 10,10,15-trimethylpentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene?
The InChIKey is LGPKNXLZZNIXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24/c1-16-12-17-8-4-5-9-19(17)21-15-22-20-10-6-7-11-23(20)25(2,3)24(22)14-18(21)13-16/h4-11,14-16H,12-13H2,1-3H3.
What are the key properties of 10,10,15-trimethylpentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene?
10,10,15-trimethylpentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene has a molecular weight of 324.47 g/mol, XLogP of 6.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,15-trimethylpentacyclo[11.9.0.03,11.04,9.017,22]docosa-1,3(11),4,6,8,12,17,19,21-nonaene is sourced from PubChem (CID 142288781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).