tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene

C16H12 — CID 157096961

IUPACtetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene
SMILESC1=CC2=C(C1)Cc1cc3ccccc3cc12
InChIInChI=1S/C16H12/c1-2-5-12-10-16-14(8-11(12)4-1)9-13-6-3-7-15(13)16/h1-5,7-8,10H,6,9H2
InChIKeyXGMYSGZHNDPNMA-UHFFFAOYSA-N
MW204.27 g/mol
LogP4.11
Rot. Bonds

About tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene

tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene (PubChem CID 157096961) has the molecular formula C16H12 and a molecular weight of 204.27 g/mol. Its IUPAC name is tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene.

Molecular Properties

Compound Nametetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene
PubChem CID157096961
Molecular FormulaC16H12
Molecular Weight204.27 g/mol
Exact Mass204.09
IUPAC Nametetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene
SMILESC1=CC2=C(C1)Cc1cc3ccccc3cc12
InChIInChI=1S/C16H12/c1-2-5-12-10-16-14(8-11(12)4-1)9-13-6-3-7-15(13)16/h1-5,7-8,10H,6,9H2
InChIKeyXGMYSGZHNDPNMA-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 157493433
hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene
CID 58250867
nonacyclo[19.16.0.03,19.04,17.06,15.08,13.023,36.025,34.027,32]heptatriaconta-1(37),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33,35-octadecaene
CID 59787194
3,4-dihydrocyclopenta[a]naphthalen-5-one
CID 22341653
11H-benzo[b]fluorene;9H-fluorene;heptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4,6,8,10,12,14,17,19,21,23,25,27-tetradecaene;hexacyclo[12.11.0.03,12.05,10.015,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene;hexacyclo[12.11.0.03,12.05,10.016,24.017,22]pentacosa-1,3,5,7,9,11,13,15,17,19,21,24-dodecaene;1H-indene;pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 160875333
1,4-dihydroanthracene
CID 10142816
3,4-dimethyl-11H-benzo[b]fluorene
CID 159162608
2-chloro-4H-anthracene-1,3-dione
CID 18401951
1H-cyclopropa[b]naphthalene;ethane
CID 144907572
5,7,14,16-tetrahydrohexacene
CID 139940246
13-azapentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaene
CID 10125506
1H-benzo[f][2]benzofuran-3-one;hydrochloride
CID 171059423

Frequently Asked Questions

What is the IUPAC name of tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene?
The IUPAC name of tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene (CID 157096961) is tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene.
What is the SMILES notation for tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene?
The canonical SMILES for tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene is C1=CC2=C(C1)Cc1cc3ccccc3cc12.
What is the InChIKey of tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene?
The InChIKey is XGMYSGZHNDPNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12/c1-2-5-12-10-16-14(8-11(12)4-1)9-13-6-3-7-15(13)16/h1-5,7-8,10H,6,9H2.
What are the key properties of tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene?
tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene has a molecular weight of 204.27 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene is sourced from PubChem (CID 157096961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).