tetracyclo[8.5.0.02,7.012,14]pentadeca-1(15),2,4,6,8,10,12(14)-heptaene

C15H10 — CID 13353685

IUPACtetracyclo[8.5.0.02,7.012,14]pentadeca-1(15),2,4,6,8,10,12(14)-heptaene
SMILESc1ccc2c(c1)ccc1cc3c(cc12)C3
InChIInChI=1S/C15H10/c1-2-4-14-10(3-1)5-6-11-7-12-8-13(12)9-15(11)14/h1-7,9H,8H2
InChIKeyJDIFGUQCOBOINT-UHFFFAOYSA-N
MW190.25 g/mol
LogP3.90
Rot. Bonds

About tetracyclo[8.5.0.02,7.012,14]pentadeca-1(15),2,4,6,8,10,12(14)-heptaene

tetracyclo[8.5.0.02,7.012,14]pentadeca-1(15),2,4,6,8,10,12(14)-heptaene (PubChem CID 13353685) has the molecular formula C15H10 and a molecular weight of 190.25 g/mol. Its IUPAC name is tetracyclo[8.5.0.02,7.012,14]pentadeca-1(15),2,4,6,8,10,12(14)-heptaene.

Molecular Properties

Compound Nametetracyclo[8.5.0.02,7.012,14]pentadeca-1(15),2,4,6,8,10,12(14)-heptaene
PubChem CID13353685
Molecular FormulaC15H10
Molecular Weight190.25 g/mol
Exact Mass190.08
IUPAC Nametetracyclo[8.5.0.02,7.012,14]pentadeca-1(15),2,4,6,8,10,12(14)-heptaene
SMILESc1ccc2c(c1)ccc1cc3c(cc12)C3
InChIInChI=1S/C15H10/c1-2-4-14-10(3-1)5-6-11-7-12-8-13(12)9-15(11)14/h1-7,9H,8H2
InChIKeyJDIFGUQCOBOINT-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

naphtho[1,2-b]phenanthrene
CID 5889
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17,19,21,24-dodecaene;pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 163701410
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
spiro[8,10-dihydronaphtho[1,2-f]isoindol-9-ium-9,1'-azolidin-1-ium] bromide
CID 15099255
CID 157090523
CID 157090523
heptacyclo[16.12.0.02,15.04,13.06,11.020,29.021,26]triaconta-1(30),2,4,6,8,10,12,14,16,18,20(29),21,23,25,27-pentadecaene
CID 21087911
heptacyclo[16.12.0.02,15.04,13.05,10.019,28.022,27]triaconta-1(18),2(15),3,5,7,9,11,13,16,19(28),20,22,24,26,29-pentadecaene
CID 21088016
benzo[a]anthracene;hydrobromide
CID 159787028
spiro[8,10-dihydronaphtho[1,2-f]isoindol-9-ium-9,1'-azinan-1-ium] bromide
CID 15099256

Frequently Asked Questions

What is the IUPAC name of tetracyclo[8.5.0.02,7.012,14]pentadeca-1(15),2,4,6,8,10,12(14)-heptaene?
The IUPAC name of tetracyclo[8.5.0.02,7.012,14]pentadeca-1(15),2,4,6,8,10,12(14)-heptaene (CID 13353685) is tetracyclo[8.5.0.02,7.012,14]pentadeca-1(15),2,4,6,8,10,12(14)-heptaene.
What is the SMILES notation for tetracyclo[8.5.0.02,7.012,14]pentadeca-1(15),2,4,6,8,10,12(14)-heptaene?
The canonical SMILES for tetracyclo[8.5.0.02,7.012,14]pentadeca-1(15),2,4,6,8,10,12(14)-heptaene is c1ccc2c(c1)ccc1cc3c(cc12)C3.
What is the InChIKey of tetracyclo[8.5.0.02,7.012,14]pentadeca-1(15),2,4,6,8,10,12(14)-heptaene?
The InChIKey is JDIFGUQCOBOINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10/c1-2-4-14-10(3-1)5-6-11-7-12-8-13(12)9-15(11)14/h1-7,9H,8H2.
What are the key properties of tetracyclo[8.5.0.02,7.012,14]pentadeca-1(15),2,4,6,8,10,12(14)-heptaene?
tetracyclo[8.5.0.02,7.012,14]pentadeca-1(15),2,4,6,8,10,12(14)-heptaene has a molecular weight of 190.25 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[8.5.0.02,7.012,14]pentadeca-1(15),2,4,6,8,10,12(14)-heptaene is sourced from PubChem (CID 13353685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).