pentacyclo[10.7.0.01,4.05,10.013,18]nonadeca-5,7,9,13,15,17-hexaene

C19H18 — CID 123914299

IUPACpentacyclo[10.7.0.01,4.05,10.013,18]nonadeca-5,7,9,13,15,17-hexaene
SMILESc1ccc2c(c1)CC1c3ccccc3CC13CCC23
InChIInChI=1S/C19H18/c1-3-7-15-13(5-1)11-18-16-8-4-2-6-14(16)12-19(18)10-9-17(15)19/h1-8,17-18H,9-12H2
InChIKeyMSAQVTSPSWVWNX-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.45
Rot. Bonds

About pentacyclo[10.7.0.01,4.05,10.013,18]nonadeca-5,7,9,13,15,17-hexaene

pentacyclo[10.7.0.01,4.05,10.013,18]nonadeca-5,7,9,13,15,17-hexaene (PubChem CID 123914299) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is pentacyclo[10.7.0.01,4.05,10.013,18]nonadeca-5,7,9,13,15,17-hexaene.

Molecular Properties

Compound Namepentacyclo[10.7.0.01,4.05,10.013,18]nonadeca-5,7,9,13,15,17-hexaene
PubChem CID123914299
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Namepentacyclo[10.7.0.01,4.05,10.013,18]nonadeca-5,7,9,13,15,17-hexaene
SMILESc1ccc2c(c1)CC1c3ccccc3CC13CCC23
InChIInChI=1S/C19H18/c1-3-7-15-13(5-1)11-18-16-8-4-2-6-14(16)12-19(18)10-9-17(15)19/h1-8,17-18H,9-12H2
InChIKeyMSAQVTSPSWVWNX-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 167047908
2-benzyl-2-(2,3-dihydro-1H-inden-1-yl)-1,3-dihydroinden-1-ol
CID 18368438
spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ol
CID 13300016
1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;hydrochloride
CID 67612457
1,1a,6,6a-tetrahydrocyclopropa[a]indene;azane;dihydrobromide
CID 70066114
spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-ol
CID 21433631
6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene
CID 12522307
2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 519137
2,2-dimethyl-1,3-dihydroinden-1-ol;ethane
CID 162431044
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
7-bicyclo[4.2.0]octa-1,3,5-trienylazanium
CID 4235727
(1S,2R,10R,11S)-pentacyclo[9.7.0.02,10.03,8.013,18]octadeca-3,5,7,13,15,17-hexaene
CID 102463756

Frequently Asked Questions

What is the IUPAC name of pentacyclo[10.7.0.01,4.05,10.013,18]nonadeca-5,7,9,13,15,17-hexaene?
The IUPAC name of pentacyclo[10.7.0.01,4.05,10.013,18]nonadeca-5,7,9,13,15,17-hexaene (CID 123914299) is pentacyclo[10.7.0.01,4.05,10.013,18]nonadeca-5,7,9,13,15,17-hexaene.
What is the SMILES notation for pentacyclo[10.7.0.01,4.05,10.013,18]nonadeca-5,7,9,13,15,17-hexaene?
The canonical SMILES for pentacyclo[10.7.0.01,4.05,10.013,18]nonadeca-5,7,9,13,15,17-hexaene is c1ccc2c(c1)CC1c3ccccc3CC13CCC23.
What is the InChIKey of pentacyclo[10.7.0.01,4.05,10.013,18]nonadeca-5,7,9,13,15,17-hexaene?
The InChIKey is MSAQVTSPSWVWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18/c1-3-7-15-13(5-1)11-18-16-8-4-2-6-14(16)12-19(18)10-9-17(15)19/h1-8,17-18H,9-12H2.
What are the key properties of pentacyclo[10.7.0.01,4.05,10.013,18]nonadeca-5,7,9,13,15,17-hexaene?
pentacyclo[10.7.0.01,4.05,10.013,18]nonadeca-5,7,9,13,15,17-hexaene has a molecular weight of 246.35 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[10.7.0.01,4.05,10.013,18]nonadeca-5,7,9,13,15,17-hexaene is sourced from PubChem (CID 123914299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).