tetracyclo[6.6.6.02,7.09,14]icosa-1,3,5,7,9,11,13-heptaene

C20H20 — CID 10015487

IUPACtetracyclo[6.6.6.02,7.09,14]icosa-1,3,5,7,9,11,13-heptaene
SMILESc1ccc2c3c4ccccc4c(c2c1)CCCCCC3
InChIInChI=1S/C20H20/c1-2-4-10-16-19-13-7-5-11-17(19)15(9-3-1)18-12-6-8-14-20(16)18/h5-8,11-14H,1-4,9-10H2
InChIKeyCHIRNODCIXPXBX-UHFFFAOYSA-N
MW260.38 g/mol
LogP5.65
Rot. Bonds

About tetracyclo[6.6.6.02,7.09,14]icosa-1,3,5,7,9,11,13-heptaene

tetracyclo[6.6.6.02,7.09,14]icosa-1,3,5,7,9,11,13-heptaene (PubChem CID 10015487) has the molecular formula C20H20 and a molecular weight of 260.38 g/mol. Its IUPAC name is tetracyclo[6.6.6.02,7.09,14]icosa-1,3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Nametetracyclo[6.6.6.02,7.09,14]icosa-1,3,5,7,9,11,13-heptaene
PubChem CID10015487
Molecular FormulaC20H20
Molecular Weight260.38 g/mol
Exact Mass260.16
IUPAC Nametetracyclo[6.6.6.02,7.09,14]icosa-1,3,5,7,9,11,13-heptaene
SMILESc1ccc2c3c4ccccc4c(c2c1)CCCCCC3
InChIInChI=1S/C20H20/c1-2-4-10-16-19-13-7-5-11-17(19)15(9-3-1)18-12-6-8-14-20(16)18/h5-8,11-14H,1-4,9-10H2
InChIKeyCHIRNODCIXPXBX-UHFFFAOYSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.38
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

tetracyclo[6.6.5.02,7.09,14]nonadeca-1,3,5,7,9,11,13-heptaene
CID 14980237
argon;bis(9,10-dimethyl-1,2,3,4-tetrahydroanthracene);ethane
CID 165047463
octacyclo[12.11.11.116,20.127,31.015,25.026,36.024,38.035,37]octatriaconta-1(25),14,16,18,20(38),21,23,26(36),27,29,31(37),32,34-tridecaene
CID 59445145
10-methoxy-9-methyl-1,2,3,4-tetrahydrophenanthrene
CID 71499800
methane;1,2,3,4-tetrahydrochrysene
CID 174298676
1,2,3,4-tetrahydrophenanthrene-9-carbonitrile
CID 70596555
benzene;1,2,3,4-tetrahydrochrysene
CID 174248896
9-tert-butyl-10-methyl-1,2,3,4-tetrahydrophenanthrene
CID 10634606
2,3,4,5-tetrahydro-1H-phenanthridin-6-one;hydrochloride
CID 142809398
palladium;1,2,3,4-tetrahydrochrysene
CID 174462913
ethane;hexacyclo[9.9.2.02,7.08,22.012,17.018,21]docosa-1,3,5,7,11(22),12,14,16,18(21)-nonaene
CID 91276144
benzene;methane;1,2,3,4-tetrahydrochrysene
CID 174815578

Frequently Asked Questions

What is the IUPAC name of tetracyclo[6.6.6.02,7.09,14]icosa-1,3,5,7,9,11,13-heptaene?
The IUPAC name of tetracyclo[6.6.6.02,7.09,14]icosa-1,3,5,7,9,11,13-heptaene (CID 10015487) is tetracyclo[6.6.6.02,7.09,14]icosa-1,3,5,7,9,11,13-heptaene.
What is the SMILES notation for tetracyclo[6.6.6.02,7.09,14]icosa-1,3,5,7,9,11,13-heptaene?
The canonical SMILES for tetracyclo[6.6.6.02,7.09,14]icosa-1,3,5,7,9,11,13-heptaene is c1ccc2c3c4ccccc4c(c2c1)CCCCCC3.
What is the InChIKey of tetracyclo[6.6.6.02,7.09,14]icosa-1,3,5,7,9,11,13-heptaene?
The InChIKey is CHIRNODCIXPXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20/c1-2-4-10-16-19-13-7-5-11-17(19)15(9-3-1)18-12-6-8-14-20(16)18/h5-8,11-14H,1-4,9-10H2.
What are the key properties of tetracyclo[6.6.6.02,7.09,14]icosa-1,3,5,7,9,11,13-heptaene?
tetracyclo[6.6.6.02,7.09,14]icosa-1,3,5,7,9,11,13-heptaene has a molecular weight of 260.38 g/mol, XLogP of 5.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[6.6.6.02,7.09,14]icosa-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 10015487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).