6,15,16-trimethyl-13-[(E)-2-(4-methylphenyl)ethenyl]tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene

C28H30 — CID 10690281

IUPAC6,15,16-trimethyl-13-[(E)-2-(4-methylphenyl)ethenyl]tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene
SMILESCc1ccc(/C=C/c2cc3c(C)c(c2)CCc2cc(C)cc(c2C)CC3)cc1
InChIInChI=1S/C28H30/c1-19-5-7-23(8-6-19)9-10-24-17-27-13-11-25-15-20(2)16-26(21(25)3)12-14-28(18-24)22(27)4/h5-10,15-18H,11-14H2,1-4H3/b10-9+
InChIKeyPOZPIDJRFITDIP-MDZDMXLPSA-N
MW366.55 g/mol
LogP6.97
Rot. Bonds2

About 6,15,16-trimethyl-13-[(E)-2-(4-methylphenyl)ethenyl]tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene

6,15,16-trimethyl-13-[(E)-2-(4-methylphenyl)ethenyl]tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene (PubChem CID 10690281) has the molecular formula C28H30 and a molecular weight of 366.55 g/mol. Its IUPAC name is 6,15,16-trimethyl-13-[(E)-2-(4-methylphenyl)ethenyl]tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene.

Molecular Properties

Compound Name6,15,16-trimethyl-13-[(E)-2-(4-methylphenyl)ethenyl]tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene
PubChem CID10690281
Molecular FormulaC28H30
Molecular Weight366.55 g/mol
Exact Mass366.23
IUPAC Name6,15,16-trimethyl-13-[(E)-2-(4-methylphenyl)ethenyl]tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene
SMILESCc1ccc(/C=C/c2cc3c(C)c(c2)CCc2cc(C)cc(c2C)CC3)cc1
InChIInChI=1S/C28H30/c1-19-5-7-23(8-6-19)9-10-24-17-27-13-11-25-15-20(2)16-26(21(25)3)12-14-28(18-24)22(27)4/h5-10,15-18H,11-14H2,1-4H3/b10-9+
InChIKeyPOZPIDJRFITDIP-MDZDMXLPSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6,15,16-trimethyl-13-[(E)-2-(4-methylphenyl)ethenyl]tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,15,16-trimethyl-13-[(E)-2-(4-methylphenyl)ethenyl]tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene?
The IUPAC name of 6,15,16-trimethyl-13-[(E)-2-(4-methylphenyl)ethenyl]tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene (CID 10690281) is 6,15,16-trimethyl-13-[(E)-2-(4-methylphenyl)ethenyl]tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene.
What is the SMILES notation for 6,15,16-trimethyl-13-[(E)-2-(4-methylphenyl)ethenyl]tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene?
The canonical SMILES for 6,15,16-trimethyl-13-[(E)-2-(4-methylphenyl)ethenyl]tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene is Cc1ccc(/C=C/c2cc3c(C)c(c2)CCc2cc(C)cc(c2C)CC3)cc1.
What is the InChIKey of 6,15,16-trimethyl-13-[(E)-2-(4-methylphenyl)ethenyl]tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene?
The InChIKey is POZPIDJRFITDIP-MDZDMXLPSA-N. The full InChI is InChI=1S/C28H30/c1-19-5-7-23(8-6-19)9-10-24-17-27-13-11-25-15-20(2)16-26(21(25)3)12-14-28(18-24)22(27)4/h5-10,15-18H,11-14H2,1-4H3/b10-9+.
What are the key properties of 6,15,16-trimethyl-13-[(E)-2-(4-methylphenyl)ethenyl]tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene?
6,15,16-trimethyl-13-[(E)-2-(4-methylphenyl)ethenyl]tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene has a molecular weight of 366.55 g/mol, XLogP of 6.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,15,16-trimethyl-13-[(E)-2-(4-methylphenyl)ethenyl]tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene is sourced from PubChem (CID 10690281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).