1-(4-tert-butyl-2-methylphenyl)-5-(9,9-diethylfluoren-3-yl)-2-phenylimidazole

C37H38N2 — CID 159088090

IUPAC1-(4-tert-butyl-2-methylphenyl)-5-(9,9-diethylfluoren-3-yl)-2-phenylimidazole
SMILESCCC1(CC)c2ccccc2-c2cc(-c3cnc(-c4ccccc4)n3-c3ccc(C(C)(C)C)cc3C)ccc21
InChIInChI=1S/C37H38N2/c1-7-37(8-2)31-17-13-12-16-29(31)30-23-27(18-20-32(30)37)34-24-38-35(26-14-10-9-11-15-26)39(34)33-21-19-28(22-25(33)3)36(4,5)6/h9-24H,7-8H2,1-6H3
InChIKeyZUXPTQXCZCBFHY-UHFFFAOYSA-N
MW510.73 g/mol
LogP9.90
Rot. Bonds5

About 1-(4-tert-butyl-2-methylphenyl)-5-(9,9-diethylfluoren-3-yl)-2-phenylimidazole

1-(4-tert-butyl-2-methylphenyl)-5-(9,9-diethylfluoren-3-yl)-2-phenylimidazole (PubChem CID 159088090) has the molecular formula C37H38N2 and a molecular weight of 510.73 g/mol. Its IUPAC name is 1-(4-tert-butyl-2-methylphenyl)-5-(9,9-diethylfluoren-3-yl)-2-phenylimidazole.

Molecular Properties

Compound Name1-(4-tert-butyl-2-methylphenyl)-5-(9,9-diethylfluoren-3-yl)-2-phenylimidazole
PubChem CID159088090
Molecular FormulaC37H38N2
Molecular Weight510.73 g/mol
Exact Mass510.30
IUPAC Name1-(4-tert-butyl-2-methylphenyl)-5-(9,9-diethylfluoren-3-yl)-2-phenylimidazole
SMILESCCC1(CC)c2ccccc2-c2cc(-c3cnc(-c4ccccc4)n3-c3ccc(C(C)(C)C)cc3C)ccc21
InChIInChI=1S/C37H38N2/c1-7-37(8-2)31-17-13-12-16-29(31)30-23-27(18-20-32(30)37)34-24-38-35(26-14-10-9-11-15-26)39(34)33-21-19-28(22-25(33)3)36(4,5)6/h9-24H,7-8H2,1-6H3
InChIKeyZUXPTQXCZCBFHY-UHFFFAOYSA-N
XLogP9.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.73
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butyl-2-methylphenyl)-5-(9,9-diethylfluoren-3-yl)-2-phenylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methylhexan-2-yl)-1-(2-methyl-4-phenylphenyl)-2-phenylimidazole
CID 157271882
2,7-bis(9,9-diethylfluoren-2-yl)-9,9-diethyl-3,6-dimethylfluorene
CID 59782418
6-tert-butyl-2-[7-(6-tert-butyl-3,9,9-trimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-3,9,9-trimethylfluorene
CID 59782352
3-(3-tert-butylphenyl)-9,9-dimethylfluorene
CID 167353665
3,6-ditert-butyl-9,9'-spirobi[fluorene]
CID 156624536
3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-phenylcarbazole
CID 59221286
15-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-11,11,19,19-tetraethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
CID 87159796
1-[7-(7-tert-butyl-9,9-diethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]pyrene
CID 123355674
3-(9,9-diethyl-7-tritylfluoren-2-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 59221309
3-tert-butyl-4-(4-tert-butyl-2-methylphenyl)-5-[3-(9-hexylfluoren-9-yl)benzene-6-id-1-yl]-1,2,4-triazole;iridium
CID 164927689
3-(4-tert-butylphenyl)-5-[4-[7-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-9,9-dioctylfluoren-2-yl]phenyl]-4-phenyl-1,2,4-triazole
CID 101482227
2-(3,5-dimethylphenyl)-10,10-diethyl-4-phenylindeno[1,2-g]quinoline
CID 138592606

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2-methylphenyl)-5-(9,9-diethylfluoren-3-yl)-2-phenylimidazole?
The IUPAC name of 1-(4-tert-butyl-2-methylphenyl)-5-(9,9-diethylfluoren-3-yl)-2-phenylimidazole (CID 159088090) is 1-(4-tert-butyl-2-methylphenyl)-5-(9,9-diethylfluoren-3-yl)-2-phenylimidazole.
What is the SMILES notation for 1-(4-tert-butyl-2-methylphenyl)-5-(9,9-diethylfluoren-3-yl)-2-phenylimidazole?
The canonical SMILES for 1-(4-tert-butyl-2-methylphenyl)-5-(9,9-diethylfluoren-3-yl)-2-phenylimidazole is CCC1(CC)c2ccccc2-c2cc(-c3cnc(-c4ccccc4)n3-c3ccc(C(C)(C)C)cc3C)ccc21.
What is the InChIKey of 1-(4-tert-butyl-2-methylphenyl)-5-(9,9-diethylfluoren-3-yl)-2-phenylimidazole?
The InChIKey is ZUXPTQXCZCBFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N2/c1-7-37(8-2)31-17-13-12-16-29(31)30-23-27(18-20-32(30)37)34-24-38-35(26-14-10-9-11-15-26)39(34)33-21-19-28(22-25(33)3)36(4,5)6/h9-24H,7-8H2,1-6H3.
What are the key properties of 1-(4-tert-butyl-2-methylphenyl)-5-(9,9-diethylfluoren-3-yl)-2-phenylimidazole?
1-(4-tert-butyl-2-methylphenyl)-5-(9,9-diethylfluoren-3-yl)-2-phenylimidazole has a molecular weight of 510.73 g/mol, XLogP of 9.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2-methylphenyl)-5-(9,9-diethylfluoren-3-yl)-2-phenylimidazole is sourced from PubChem (CID 159088090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).