5,11-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

C34H36 — CID 14921005

IUPAC5,11-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
SMILESCc1cc(C)c(-c2cc3ccc2CCc2ccc(c(-c4c(C)cc(C)cc4C)c2)CC3)c(C)c1
InChIInChI=1S/C34H36/c1-21-15-23(3)33(24(4)16-21)31-19-27-7-11-29(31)13-9-28-8-12-30(14-10-27)32(20-28)34-25(5)17-22(2)18-26(34)6/h7-8,11-12,15-20H,9-10,13-14H2,1-6H3
InChIKeyRDEAWDMLIWIYLB-UHFFFAOYSA-N
MW444.66 g/mol
LogP8.75
Rot. Bonds2

About 5,11-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene

5,11-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (PubChem CID 14921005) has the molecular formula C34H36 and a molecular weight of 444.66 g/mol. Its IUPAC name is 5,11-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.

Molecular Properties

Compound Name5,11-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
PubChem CID14921005
Molecular FormulaC34H36
Molecular Weight444.66 g/mol
Exact Mass444.28
IUPAC Name5,11-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene
SMILESCc1cc(C)c(-c2cc3ccc2CCc2ccc(c(-c4c(C)cc(C)cc4C)c2)CC3)c(C)c1
InChIInChI=1S/C34H36/c1-21-15-23(3)33(24(4)16-21)31-19-27-7-11-29(31)13-9-28-8-12-30(14-10-27)32(20-28)34-25(5)17-22(2)18-26(34)6/h7-8,11-12,15-20H,9-10,13-14H2,1-6H3
InChIKeyRDEAWDMLIWIYLB-UHFFFAOYSA-N
XLogP8.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.66
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,11-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The IUPAC name of 5,11-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene (CID 14921005) is 5,11-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene.
What is the SMILES notation for 5,11-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The canonical SMILES for 5,11-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is Cc1cc(C)c(-c2cc3ccc2CCc2ccc(c(-c4c(C)cc(C)cc4C)c2)CC3)c(C)c1.
What is the InChIKey of 5,11-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
The InChIKey is RDEAWDMLIWIYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36/c1-21-15-23(3)33(24(4)16-21)31-19-27-7-11-29(31)13-9-28-8-12-30(14-10-27)32(20-28)34-25(5)17-22(2)18-26(34)6/h7-8,11-12,15-20H,9-10,13-14H2,1-6H3.
What are the key properties of 5,11-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene?
5,11-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene has a molecular weight of 444.66 g/mol, XLogP of 8.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-bis(2,4,6-trimethylphenyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene is sourced from PubChem (CID 14921005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).