tetracyclo[9.5.1.02,9.03,8]heptadeca-1,3,5,7,9,11,13,15-octaene

C17H12 — CID 134897862

IUPACtetracyclo[9.5.1.02,9.03,8]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESC1=C2C(=C3/C=C/C=C\C=C\1C3)c1ccccc12
InChIInChI=1S/C17H12/c1-2-6-12-10-13(7-3-1)17-15-9-5-4-8-14(15)16(17)11-12/h1-9,11H,10H2/b2-1-,3-1-,6-2-,7-3+,12-6+,13-7-
InChIKeyYZSYOMNTPKSMKJ-UTMXFVGFSA-N
MW216.28 g/mol
LogP4.29
Rot. Bonds

About tetracyclo[9.5.1.02,9.03,8]heptadeca-1,3,5,7,9,11,13,15-octaene

tetracyclo[9.5.1.02,9.03,8]heptadeca-1,3,5,7,9,11,13,15-octaene (PubChem CID 134897862) has the molecular formula C17H12 and a molecular weight of 216.28 g/mol. Its IUPAC name is tetracyclo[9.5.1.02,9.03,8]heptadeca-1,3,5,7,9,11,13,15-octaene.

Molecular Properties

Compound Nametetracyclo[9.5.1.02,9.03,8]heptadeca-1,3,5,7,9,11,13,15-octaene
PubChem CID134897862
Molecular FormulaC17H12
Molecular Weight216.28 g/mol
Exact Mass216.09
IUPAC Nametetracyclo[9.5.1.02,9.03,8]heptadeca-1,3,5,7,9,11,13,15-octaene
SMILESC1=C2C(=C3/C=C/C=C\C=C\1C3)c1ccccc12
InChIInChI=1S/C17H12/c1-2-6-12-10-13(7-3-1)17-15-9-5-4-8-14(15)16(17)11-12/h1-9,11H,10H2/b2-1-,3-1-,6-2-,7-3+,12-6+,13-7-
InChIKeyYZSYOMNTPKSMKJ-UTMXFVGFSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze tetracyclo[9.5.1.02,9.03,8]heptadeca-1,3,5,7,9,11,13,15-octaene with MolForge

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Related Compounds

tetracyclo[10.6.1.06,19.013,18]nonadeca-1,6(19),7,9,11,13,15,17-octaene
CID 76601679
pentacyclo[16.4.1.03,16.05,14.07,12]tricosa-1(22),2,4,7,9,11,14,16,18,20-decaene-6,13-dione
CID 101357131
pentacyclo[16.4.1.03,16.05,14.06,11]tricosa-1(22),2,4,6,8,10,14,16,18,20-decaene-12,13-dione
CID 101357133
tricyclo[7.5.2.02,7]hexadeca-1,3,5,7,9,11,13-heptaen-16-one
CID 140988319
1-(2-bicyclo[2.2.1]hepta-1,3,5-trienyl)naphthalene
CID 161312364
tricyclo[14.4.0.02,7]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 123254733
1,4-di(cyclooctatetraenyl)naphthalene
CID 90786287
tricyclo[9.4.1.03,9]hexadeca-1(15),2,4,7,9,11,13-heptaen-6-one
CID 101225290
heptacyclo[16.6.6.62,9.03,8.019,24.025,30.031,36]hexatriaconta-3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35-heptadecaene
CID 5255336
dimethyl (1E,2E,4E,6E,8Z,10Z)-bicyclo[5.5.1]trideca-1(12),2,4,6,8,10-hexaene-3,4-dicarboxylate
CID 12956141
hexacyclo[15.4.1.12,5.16,11.03,15.04,13]tetracosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 101378249
3λ3-iodatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 156755901

Frequently Asked Questions

What is the IUPAC name of tetracyclo[9.5.1.02,9.03,8]heptadeca-1,3,5,7,9,11,13,15-octaene?
The IUPAC name of tetracyclo[9.5.1.02,9.03,8]heptadeca-1,3,5,7,9,11,13,15-octaene (CID 134897862) is tetracyclo[9.5.1.02,9.03,8]heptadeca-1,3,5,7,9,11,13,15-octaene.
What is the SMILES notation for tetracyclo[9.5.1.02,9.03,8]heptadeca-1,3,5,7,9,11,13,15-octaene?
The canonical SMILES for tetracyclo[9.5.1.02,9.03,8]heptadeca-1,3,5,7,9,11,13,15-octaene is C1=C2C(=C3/C=C/C=C\C=C\1C3)c1ccccc12.
What is the InChIKey of tetracyclo[9.5.1.02,9.03,8]heptadeca-1,3,5,7,9,11,13,15-octaene?
The InChIKey is YZSYOMNTPKSMKJ-UTMXFVGFSA-N. The full InChI is InChI=1S/C17H12/c1-2-6-12-10-13(7-3-1)17-15-9-5-4-8-14(15)16(17)11-12/h1-9,11H,10H2/b2-1-,3-1-,6-2-,7-3+,12-6+,13-7-.
What are the key properties of tetracyclo[9.5.1.02,9.03,8]heptadeca-1,3,5,7,9,11,13,15-octaene?
tetracyclo[9.5.1.02,9.03,8]heptadeca-1,3,5,7,9,11,13,15-octaene has a molecular weight of 216.28 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[9.5.1.02,9.03,8]heptadeca-1,3,5,7,9,11,13,15-octaene is sourced from PubChem (CID 134897862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).