2-phenyl-1-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)imidazole

C29H30N2 — CID 176865622

IUPAC2-phenyl-1-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)imidazole
SMILESCC1(C)CCC(C)(C)c2cc(-n3ccnc3-c3ccccc3)c(-c3ccccc3)cc21
InChIInChI=1S/C29H30N2/c1-28(2)15-16-29(3,4)25-20-26(23(19-24(25)28)21-11-7-5-8-12-21)31-18-17-30-27(31)22-13-9-6-10-14-22/h5-14,17-20H,15-16H2,1-4H3
InChIKeyKQDDHWCUIQCCPW-UHFFFAOYSA-N
MW406.57 g/mol
LogP7.56
Rot. Bonds3

About 2-phenyl-1-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)imidazole

2-phenyl-1-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)imidazole (PubChem CID 176865622) has the molecular formula C29H30N2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 2-phenyl-1-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)imidazole.

Molecular Properties

Compound Name2-phenyl-1-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)imidazole
PubChem CID176865622
Molecular FormulaC29H30N2
Molecular Weight406.57 g/mol
Exact Mass406.24
IUPAC Name2-phenyl-1-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)imidazole
SMILESCC1(C)CCC(C)(C)c2cc(-n3ccnc3-c3ccccc3)c(-c3ccccc3)cc21
InChIInChI=1S/C29H30N2/c1-28(2)15-16-29(3,4)25-20-26(23(19-24(25)28)21-11-7-5-8-12-21)31-18-17-30-27(31)22-13-9-6-10-14-22/h5-14,17-20H,15-16H2,1-4H3
InChIKeyKQDDHWCUIQCCPW-UHFFFAOYSA-N
XLogP7.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)imidazole?
The IUPAC name of 2-phenyl-1-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)imidazole (CID 176865622) is 2-phenyl-1-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)imidazole.
What is the SMILES notation for 2-phenyl-1-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)imidazole?
The canonical SMILES for 2-phenyl-1-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)imidazole is CC1(C)CCC(C)(C)c2cc(-n3ccnc3-c3ccccc3)c(-c3ccccc3)cc21.
What is the InChIKey of 2-phenyl-1-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)imidazole?
The InChIKey is KQDDHWCUIQCCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2/c1-28(2)15-16-29(3,4)25-20-26(23(19-24(25)28)21-11-7-5-8-12-21)31-18-17-30-27(31)22-13-9-6-10-14-22/h5-14,17-20H,15-16H2,1-4H3.
What are the key properties of 2-phenyl-1-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)imidazole?
2-phenyl-1-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)imidazole has a molecular weight of 406.57 g/mol, XLogP of 7.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)imidazole is sourced from PubChem (CID 176865622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).