6-tert-butyl-16-[(Z)-2-phenylethenyl]tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene

C28H30 — CID 10522956

IUPAC6-tert-butyl-16-[(Z)-2-phenylethenyl]tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene
SMILESCC(C)(C)c1cc2c(/C=C\c3ccccc3)c(c1)CCc1cccc(c1)CC2
InChIInChI=1S/C28H30/c1-28(2,3)26-19-24-15-12-22-10-7-11-23(18-22)13-16-25(20-26)27(24)17-14-21-8-5-4-6-9-21/h4-11,14,17-20H,12-13,15-16H2,1-3H3/b17-14-
InChIKeyVOSAPJJRDKAXKX-VKAVYKQESA-N
MW366.55 g/mol
LogP7.04
Rot. Bonds2

About 6-tert-butyl-16-[(Z)-2-phenylethenyl]tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene

6-tert-butyl-16-[(Z)-2-phenylethenyl]tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene (PubChem CID 10522956) has the molecular formula C28H30 and a molecular weight of 366.55 g/mol. Its IUPAC name is 6-tert-butyl-16-[(Z)-2-phenylethenyl]tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene.

Molecular Properties

Compound Name6-tert-butyl-16-[(Z)-2-phenylethenyl]tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene
PubChem CID10522956
Molecular FormulaC28H30
Molecular Weight366.55 g/mol
Exact Mass366.23
IUPAC Name6-tert-butyl-16-[(Z)-2-phenylethenyl]tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene
SMILESCC(C)(C)c1cc2c(/C=C\c3ccccc3)c(c1)CCc1cccc(c1)CC2
InChIInChI=1S/C28H30/c1-28(2,3)26-19-24-15-12-22-10-7-11-23(18-22)13-16-25(20-26)27(24)17-14-21-8-5-4-6-9-21/h4-11,14,17-20H,12-13,15-16H2,1-3H3/b17-14-
InChIKeyVOSAPJJRDKAXKX-VKAVYKQESA-N
XLogP7.04
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 ≤ 57.04
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

16-[(E)-2-bromoethenyl]-6-tert-butyltricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene
CID 10737801
1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101407026
1-tert-butyl-3-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 164762812
1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
1,3-ditert-butyl-5-[(E)-2-[4-[(E)-2-(3,5-ditert-butylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 14708009
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
2-[(E)-2-(4-tert-butylphenyl)ethenyl]naphthalene
CID 14597022
4-tert-butyl-2-ethenyl-1-[(E)-2-phenylethenyl]benzene
CID 142095529
1-tert-butyl-3-[(E)-2-phenylethenyl]-5-prop-1-en-2-ylbenzene
CID 144776019
2-(4-tert-butylphenyl)-5-[(E)-2-phenylethenyl]pyridine
CID 59538618
1-tert-butyl-3-[(E)-2-phenylethenyl]-5-prop-1-en-2-ylbenzene;ethane
CID 144776018
2-[4-[(E)-2-phenylethenyl]phenyl]pentan-2-amine
CID 70641823

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-16-[(Z)-2-phenylethenyl]tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene?
The IUPAC name of 6-tert-butyl-16-[(Z)-2-phenylethenyl]tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene (CID 10522956) is 6-tert-butyl-16-[(Z)-2-phenylethenyl]tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene.
What is the SMILES notation for 6-tert-butyl-16-[(Z)-2-phenylethenyl]tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene?
The canonical SMILES for 6-tert-butyl-16-[(Z)-2-phenylethenyl]tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene is CC(C)(C)c1cc2c(/C=C\c3ccccc3)c(c1)CCc1cccc(c1)CC2.
What is the InChIKey of 6-tert-butyl-16-[(Z)-2-phenylethenyl]tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene?
The InChIKey is VOSAPJJRDKAXKX-VKAVYKQESA-N. The full InChI is InChI=1S/C28H30/c1-28(2,3)26-19-24-15-12-22-10-7-11-23(18-22)13-16-25(20-26)27(24)17-14-21-8-5-4-6-9-21/h4-11,14,17-20H,12-13,15-16H2,1-3H3/b17-14-.
What are the key properties of 6-tert-butyl-16-[(Z)-2-phenylethenyl]tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene?
6-tert-butyl-16-[(Z)-2-phenylethenyl]tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene has a molecular weight of 366.55 g/mol, XLogP of 7.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-16-[(Z)-2-phenylethenyl]tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaene is sourced from PubChem (CID 10522956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).