2,6-dimethyl-4,5,7-triphenylpentacyclo[6.4.0.02,5.03,7.04,6]dodeca-1(12),8,10-triene

C32H26 — CID 14874007

IUPAC2,6-dimethyl-4,5,7-triphenylpentacyclo[6.4.0.02,5.03,7.04,6]dodeca-1(12),8,10-triene
SMILESCC12c3ccccc3C3(c4ccccc4)C1C1(c4ccccc4)C3(C)C21c1ccccc1
InChIInChI=1S/C32H26/c1-28-25-20-12-13-21-26(25)30(22-14-6-3-7-15-22)27(28)31(23-16-8-4-9-17-23)29(30,2)32(28,31)24-18-10-5-11-19-24/h3-21,27H,1-2H3
InChIKeyNZFVTQATDRIGFA-UHFFFAOYSA-N
MW410.56 g/mol
LogP6.78
Rot. Bonds3

About 2,6-dimethyl-4,5,7-triphenylpentacyclo[6.4.0.02,5.03,7.04,6]dodeca-1(12),8,10-triene

2,6-dimethyl-4,5,7-triphenylpentacyclo[6.4.0.02,5.03,7.04,6]dodeca-1(12),8,10-triene (PubChem CID 14874007) has the molecular formula C32H26 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2,6-dimethyl-4,5,7-triphenylpentacyclo[6.4.0.02,5.03,7.04,6]dodeca-1(12),8,10-triene.

Molecular Properties

Compound Name2,6-dimethyl-4,5,7-triphenylpentacyclo[6.4.0.02,5.03,7.04,6]dodeca-1(12),8,10-triene
PubChem CID14874007
Molecular FormulaC32H26
Molecular Weight410.56 g/mol
Exact Mass410.20
IUPAC Name2,6-dimethyl-4,5,7-triphenylpentacyclo[6.4.0.02,5.03,7.04,6]dodeca-1(12),8,10-triene
SMILESCC12c3ccccc3C3(c4ccccc4)C1C1(c4ccccc4)C3(C)C21c1ccccc1
InChIInChI=1S/C32H26/c1-28-25-20-12-13-21-26(25)30(22-14-6-3-7-15-22)27(28)31(23-16-8-4-9-17-23)29(30,2)32(28,31)24-18-10-5-11-19-24/h3-21,27H,1-2H3
InChIKeyNZFVTQATDRIGFA-UHFFFAOYSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4,5,7-triphenylpentacyclo[6.4.0.02,5.03,7.04,6]dodeca-1(12),8,10-triene?
The IUPAC name of 2,6-dimethyl-4,5,7-triphenylpentacyclo[6.4.0.02,5.03,7.04,6]dodeca-1(12),8,10-triene (CID 14874007) is 2,6-dimethyl-4,5,7-triphenylpentacyclo[6.4.0.02,5.03,7.04,6]dodeca-1(12),8,10-triene.
What is the SMILES notation for 2,6-dimethyl-4,5,7-triphenylpentacyclo[6.4.0.02,5.03,7.04,6]dodeca-1(12),8,10-triene?
The canonical SMILES for 2,6-dimethyl-4,5,7-triphenylpentacyclo[6.4.0.02,5.03,7.04,6]dodeca-1(12),8,10-triene is CC12c3ccccc3C3(c4ccccc4)C1C1(c4ccccc4)C3(C)C21c1ccccc1.
What is the InChIKey of 2,6-dimethyl-4,5,7-triphenylpentacyclo[6.4.0.02,5.03,7.04,6]dodeca-1(12),8,10-triene?
The InChIKey is NZFVTQATDRIGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26/c1-28-25-20-12-13-21-26(25)30(22-14-6-3-7-15-22)27(28)31(23-16-8-4-9-17-23)29(30,2)32(28,31)24-18-10-5-11-19-24/h3-21,27H,1-2H3.
What are the key properties of 2,6-dimethyl-4,5,7-triphenylpentacyclo[6.4.0.02,5.03,7.04,6]dodeca-1(12),8,10-triene?
2,6-dimethyl-4,5,7-triphenylpentacyclo[6.4.0.02,5.03,7.04,6]dodeca-1(12),8,10-triene has a molecular weight of 410.56 g/mol, XLogP of 6.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4,5,7-triphenylpentacyclo[6.4.0.02,5.03,7.04,6]dodeca-1(12),8,10-triene is sourced from PubChem (CID 14874007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).