14-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene

C32H24 — CID 145092871

IUPAC14-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
SMILESC#C/C=C\C=C/CC1(c2ccccc2)c2ccccc2-c2ccccc2-c2ccccc21
InChIInChI=1S/C32H24/c1-2-3-4-5-15-24-32(25-16-7-6-8-17-25)30-22-13-11-20-28(30)26-18-9-10-19-27(26)29-21-12-14-23-31(29)32/h1,3-23H,24H2/b4-3-,15-5-
InChIKeyVHFSYNDRZRDZRB-GVLLYKPYSA-N
MW408.54 g/mol
LogP7.80
Rot. Bonds4

About 14-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene

14-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene (PubChem CID 145092871) has the molecular formula C32H24 and a molecular weight of 408.54 g/mol. Its IUPAC name is 14-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene.

Molecular Properties

Compound Name14-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
PubChem CID145092871
Molecular FormulaC32H24
Molecular Weight408.54 g/mol
Exact Mass408.19
IUPAC Name14-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
SMILESC#C/C=C\C=C/CC1(c2ccccc2)c2ccccc2-c2ccccc2-c2ccccc21
InChIInChI=1S/C32H24/c1-2-3-4-5-15-24-32(25-16-7-6-8-17-25)30-22-13-11-20-28(30)26-18-9-10-19-27(26)29-21-12-14-23-31(29)32/h1,3-23H,24H2/b4-3-,15-5-
InChIKeyVHFSYNDRZRDZRB-GVLLYKPYSA-N
XLogP7.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 14-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The IUPAC name of 14-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene (CID 145092871) is 14-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene.
What is the SMILES notation for 14-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The canonical SMILES for 14-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene is C#C/C=C\C=C/CC1(c2ccccc2)c2ccccc2-c2ccccc2-c2ccccc21.
What is the InChIKey of 14-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
The InChIKey is VHFSYNDRZRDZRB-GVLLYKPYSA-N. The full InChI is InChI=1S/C32H24/c1-2-3-4-5-15-24-32(25-16-7-6-8-17-25)30-22-13-11-20-28(30)26-18-9-10-19-27(26)29-21-12-14-23-31(29)32/h1,3-23H,24H2/b4-3-,15-5-.
What are the key properties of 14-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene?
14-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene has a molecular weight of 408.54 g/mol, XLogP of 7.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[(2Z,4Z)-hepta-2,4-dien-6-ynyl]-14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene is sourced from PubChem (CID 145092871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).