tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene

C14H10 — CID 101119071

IUPACtricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
SMILESc1cccc2c3cccc-3cc-2cc1
InChIInChI=1S/C14H10/c1-2-4-8-13-11(6-3-1)10-12-7-5-9-14(12)13/h1-10H/b2-1-,3-1-,4-2-,6-3-,8-4-,11-6-,13-8+
InChIKeyJNNAJDPQBMLQPK-OCPQDPRZSA-N
MW178.23 g/mol
LogP3.90
Rot. Bonds

About tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene

tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene (PubChem CID 101119071) has the molecular formula C14H10 and a molecular weight of 178.23 g/mol. Its IUPAC name is tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Nametricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
PubChem CID101119071
Molecular FormulaC14H10
Molecular Weight178.23 g/mol
Exact Mass178.08
IUPAC Nametricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
SMILESc1cccc2c3cccc-3cc-2cc1
InChIInChI=1S/C14H10/c1-2-4-8-13-11(6-3-1)10-12-7-5-9-14(12)13/h1-10H/b2-1-,3-1-,4-2-,6-3-,8-4-,11-6-,13-8+
InChIKeyJNNAJDPQBMLQPK-OCPQDPRZSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 58711316
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1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
2-methyl-1,3-bis(3-phenylphenyl)benzene
CID 162497496
2-[3-[2-[2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 167216324
3-[2-(2-phenylphenyl)phenyl]aniline
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1-azulen-1-ylazulene;2-azulen-2-ylazulene;2-azulen-4-ylazulene;methane
CID 162138602
CID 174096319
CID 174096319
1-[2-(3,5-diphenylphenyl)phenyl]-3,5-diphenylbenzene;methanamine
CID 174888350
2-[3-(2-aminophenyl)phenyl]aniline
CID 69336555
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[4-[3-(2-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 171052510
2-[2-[2-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[2-[2-[2-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[2-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 161475184

Frequently Asked Questions

What is the IUPAC name of tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene?
The IUPAC name of tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene (CID 101119071) is tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene.
What is the SMILES notation for tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene?
The canonical SMILES for tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene is c1cccc2c3cccc-3cc-2cc1.
What is the InChIKey of tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene?
The InChIKey is JNNAJDPQBMLQPK-OCPQDPRZSA-N. The full InChI is InChI=1S/C14H10/c1-2-4-8-13-11(6-3-1)10-12-7-5-9-14(12)13/h1-10H/b2-1-,3-1-,4-2-,6-3-,8-4-,11-6-,13-8+.
What are the key properties of tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene?
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene has a molecular weight of 178.23 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 tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 101119071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).