6-[2-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]propan-2-yl]-1,2,3,8-tetramethylnaphthalene

C34H40 — CID 159661807

IUPAC6-[2-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]propan-2-yl]-1,2,3,8-tetramethylnaphthalene
SMILESCc1cc(C)c(-c2cc(C)c(C(C)(C)c3cc(C)c4c(C)c(C)c(C)cc4c3)c(C)c2)c(C)c1
InChIInChI=1S/C34H40/c1-19-12-21(3)31(22(4)13-19)28-15-24(6)33(25(7)16-28)34(10,11)30-17-23(5)32-27(9)26(8)20(2)14-29(32)18-30/h12-18H,1-11H3
InChIKeyVBXGNSOXOIUOGB-UHFFFAOYSA-N
MW448.69 g/mol
LogP9.61
Rot. Bonds3

About 6-[2-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]propan-2-yl]-1,2,3,8-tetramethylnaphthalene

6-[2-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]propan-2-yl]-1,2,3,8-tetramethylnaphthalene (PubChem CID 159661807) has the molecular formula C34H40 and a molecular weight of 448.69 g/mol. Its IUPAC name is 6-[2-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]propan-2-yl]-1,2,3,8-tetramethylnaphthalene.

Molecular Properties

Compound Name6-[2-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]propan-2-yl]-1,2,3,8-tetramethylnaphthalene
PubChem CID159661807
Molecular FormulaC34H40
Molecular Weight448.69 g/mol
Exact Mass448.31
IUPAC Name6-[2-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]propan-2-yl]-1,2,3,8-tetramethylnaphthalene
SMILESCc1cc(C)c(-c2cc(C)c(C(C)(C)c3cc(C)c4c(C)c(C)c(C)cc4c3)c(C)c2)c(C)c1
InChIInChI=1S/C34H40/c1-19-12-21(3)31(22(4)13-19)28-15-24(6)33(25(7)16-28)34(10,11)30-17-23(5)32-27(9)26(8)20(2)14-29(32)18-30/h12-18H,1-11H3
InChIKeyVBXGNSOXOIUOGB-UHFFFAOYSA-N
XLogP9.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.69
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]propan-2-yl]-1,2,3,8-tetramethylnaphthalene?
The IUPAC name of 6-[2-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]propan-2-yl]-1,2,3,8-tetramethylnaphthalene (CID 159661807) is 6-[2-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]propan-2-yl]-1,2,3,8-tetramethylnaphthalene.
What is the SMILES notation for 6-[2-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]propan-2-yl]-1,2,3,8-tetramethylnaphthalene?
The canonical SMILES for 6-[2-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]propan-2-yl]-1,2,3,8-tetramethylnaphthalene is Cc1cc(C)c(-c2cc(C)c(C(C)(C)c3cc(C)c4c(C)c(C)c(C)cc4c3)c(C)c2)c(C)c1.
What is the InChIKey of 6-[2-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]propan-2-yl]-1,2,3,8-tetramethylnaphthalene?
The InChIKey is VBXGNSOXOIUOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40/c1-19-12-21(3)31(22(4)13-19)28-15-24(6)33(25(7)16-28)34(10,11)30-17-23(5)32-27(9)26(8)20(2)14-29(32)18-30/h12-18H,1-11H3.
What are the key properties of 6-[2-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]propan-2-yl]-1,2,3,8-tetramethylnaphthalene?
6-[2-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]propan-2-yl]-1,2,3,8-tetramethylnaphthalene has a molecular weight of 448.69 g/mol, XLogP of 9.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2,6-dimethyl-4-(2,4,6-trimethylphenyl)phenyl]propan-2-yl]-1,2,3,8-tetramethylnaphthalene is sourced from PubChem (CID 159661807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).