pentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,8,13,18-hexaene

C19H18 — CID 145429604

IUPACpentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,8,13,18-hexaene
SMILESc1c2c(cc3c1Cc1cc4c(cc1-3)CCC4)CCC2
InChIInChI=1S/C19H18/c1-3-12-7-16-9-17-8-13-4-2-6-15(13)11-19(17)18(16)10-14(12)5-1/h7-8,10-11H,1-6,9H2
InChIKeyUCMPBQKKRFZKLB-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.24
Rot. Bonds

About pentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,8,13,18-hexaene

pentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,8,13,18-hexaene (PubChem CID 145429604) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is pentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,8,13,18-hexaene.

Molecular Properties

Compound Namepentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,8,13,18-hexaene
PubChem CID145429604
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Namepentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,8,13,18-hexaene
SMILESc1c2c(cc3c1Cc1cc4c(cc1-3)CCC4)CCC2
InChIInChI=1S/C19H18/c1-3-12-7-16-9-17-8-13-4-2-6-15(13)11-19(17)18(16)10-14(12)5-1/h7-8,10-11H,1-6,9H2
InChIKeyUCMPBQKKRFZKLB-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze pentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,8,13,18-hexaene with MolForge

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Related Compounds

tetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,9,12,14,16-hexaene
CID 90965894
6,7,8,9-tetrahydro-4H-benzo[g]isochromene-1,3-dione
CID 90274220
3-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 58219551
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
2,3-dihydro-1H-indene-5,6-diol
CID 13058959
5,7,8,9,10,12-hexahydrotetracene-2,3-dicarboxylic acid
CID 139940214
2,3,4,5,7,8,9,10-octahydro-1H-benzo[h][3]benzazepine
CID 29078509
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
1,2,3,4,6,7,8,9,10,12-decahydroindeno[1,2-b]fluorene
CID 14791658
5,19-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,9,14,18,20-octaene
CID 91375182
2,3-dihydro-1H-cyclopenta[b]fluoren-9-one
CID 132566207
3,5,6,7-tetrahydrocyclopenta[f][1]benzothiol-2-one
CID 82374186

Frequently Asked Questions

What is the IUPAC name of pentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,8,13,18-hexaene?
The IUPAC name of pentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,8,13,18-hexaene (CID 145429604) is pentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,8,13,18-hexaene.
What is the SMILES notation for pentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,8,13,18-hexaene?
The canonical SMILES for pentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,8,13,18-hexaene is c1c2c(cc3c1Cc1cc4c(cc1-3)CCC4)CCC2.
What is the InChIKey of pentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,8,13,18-hexaene?
The InChIKey is UCMPBQKKRFZKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18/c1-3-12-7-16-9-17-8-13-4-2-6-15(13)11-19(17)18(16)10-14(12)5-1/h7-8,10-11H,1-6,9H2.
What are the key properties of pentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,8,13,18-hexaene?
pentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,8,13,18-hexaene has a molecular weight of 246.35 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,8,13,18-hexaene is sourced from PubChem (CID 145429604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).