(2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene

C17H16 — CID 145199366

IUPAC(2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene
SMILESC1=C\c2ccccc2CCCc2ccccc2/1
InChIInChI=1S/C17H16/c1-3-8-16-12-13-17-9-4-2-7-15(17)11-5-10-14(16)6-1/h1-4,6-9,12-13H,5,10-11H2/b13-12-
InChIKeyJQFAUFSBDHCJGT-SEYXRHQNSA-N
MW220.32 g/mol
LogP4.35
Rot. Bonds

About (2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene

(2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene (PubChem CID 145199366) has the molecular formula C17H16 and a molecular weight of 220.32 g/mol. Its IUPAC name is (2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene.

Molecular Properties

Compound Name(2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene
PubChem CID145199366
Molecular FormulaC17H16
Molecular Weight220.32 g/mol
Exact Mass220.13
IUPAC Name(2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene
SMILESC1=C\c2ccccc2CCCc2ccccc2/1
InChIInChI=1S/C17H16/c1-3-8-16-12-13-17-9-4-2-7-15(17)11-5-10-14(16)6-1/h1-4,6-9,12-13H,5,10-11H2/b13-12-
InChIKeyJQFAUFSBDHCJGT-SEYXRHQNSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2,3-dihydro-1H-indene;methane
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2,3-dihydro-1H-indene;1H-indene;naphthalene
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1,2-dihydronaphthalene
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1,2-dihydronaphthalene
CID 9938
bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene)
CID 158590082
1,2,3,4-tetrahydronaphthalene
CID 174531863
2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane
CID 157086025
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CID 174544280
6-azatricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaene
CID 167682943

Frequently Asked Questions

What is the IUPAC name of (2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene?
The IUPAC name of (2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene (CID 145199366) is (2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene.
What is the SMILES notation for (2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene?
The canonical SMILES for (2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene is C1=C\c2ccccc2CCCc2ccccc2/1.
What is the InChIKey of (2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene?
The InChIKey is JQFAUFSBDHCJGT-SEYXRHQNSA-N. The full InChI is InChI=1S/C17H16/c1-3-8-16-12-13-17-9-4-2-7-15(17)11-5-10-14(16)6-1/h1-4,6-9,12-13H,5,10-11H2/b13-12-.
What are the key properties of (2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene?
(2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene has a molecular weight of 220.32 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene is sourced from PubChem (CID 145199366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).