4-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-1-(2-ethylhexyl)-3-methyl-5-(4-methylphenyl)-2H-imidazole

C51H68N2 — CID 135024031

IUPAC4-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-1-(2-ethylhexyl)-3-methyl-5-(4-methylphenyl)-2H-imidazole
SMILESCCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(C4=C(c5ccc(C)cc5)N(CC(CC)CCCC)CN4C)cc3)cc21
InChIInChI=1S/C51H68N2/c1-8-12-15-17-32-51(33-18-16-13-9-2)47-34-39(6)22-30-45(47)46-31-29-44(35-48(46)51)41-25-27-42(28-26-41)49-50(43-23-20-38(5)21-24-43)53(37-52(49)7)36-40(11-4)19-14-10-3/h20-31,34-35,40H,8-19,32-33,36-37H2,1-7H3
InChIKeyINBMUCVTMQYULW-UHFFFAOYSA-N
MW709.12 g/mol
LogP14.42
Rot. Bonds19

About 4-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-1-(2-ethylhexyl)-3-methyl-5-(4-methylphenyl)-2H-imidazole

4-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-1-(2-ethylhexyl)-3-methyl-5-(4-methylphenyl)-2H-imidazole (PubChem CID 135024031) has the molecular formula C51H68N2 and a molecular weight of 709.12 g/mol. Its IUPAC name is 4-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-1-(2-ethylhexyl)-3-methyl-5-(4-methylphenyl)-2H-imidazole.

Molecular Properties

Compound Name4-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-1-(2-ethylhexyl)-3-methyl-5-(4-methylphenyl)-2H-imidazole
PubChem CID135024031
Molecular FormulaC51H68N2
Molecular Weight709.12 g/mol
Exact Mass708.54
IUPAC Name4-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-1-(2-ethylhexyl)-3-methyl-5-(4-methylphenyl)-2H-imidazole
SMILESCCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(C4=C(c5ccc(C)cc5)N(CC(CC)CCCC)CN4C)cc3)cc21
InChIInChI=1S/C51H68N2/c1-8-12-15-17-32-51(33-18-16-13-9-2)47-34-39(6)22-30-45(47)46-31-29-44(35-48(46)51)41-25-27-42(28-26-41)49-50(43-23-20-38(5)21-24-43)53(37-52(49)7)36-40(11-4)19-14-10-3/h20-31,34-35,40H,8-19,32-33,36-37H2,1-7H3
InChIKeyINBMUCVTMQYULW-UHFFFAOYSA-N
XLogP14.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.12
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-1-(2-ethylhexyl)-3-methyl-5-(4-methylphenyl)-2H-imidazole with MolForge

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Related Compounds

2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine
CID 58904109
2-(4-bromophenyl)-7-(4-methylphenyl)-9,9-dioctylfluorene
CID 71124155
2-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]-7-methyl-9,9-dipropylfluorene
CID 58012931
2-[3-heptyl-4-(4-methylphenyl)phenyl]-7-methyl-9,9-dioctylfluorene
CID 58720499
4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N,N-dimethylaniline
CID 143848347
methane;2-methyl-7-(7-methyl-9,9-dioctylfluoren-2-yl)-9-octylcarbazole
CID 158208152
CID 173488082
CID 173488082
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
2-(4,6-diphenylpyrimidin-2-yl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine
CID 118345393
2-[9,9-bis(2-ethylhexyl)-7-methylfluoren-2-yl]-7-methylfluoren-9-one
CID 20751967

Frequently Asked Questions

What is the IUPAC name of 4-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-1-(2-ethylhexyl)-3-methyl-5-(4-methylphenyl)-2H-imidazole?
The IUPAC name of 4-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-1-(2-ethylhexyl)-3-methyl-5-(4-methylphenyl)-2H-imidazole (CID 135024031) is 4-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-1-(2-ethylhexyl)-3-methyl-5-(4-methylphenyl)-2H-imidazole.
What is the SMILES notation for 4-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-1-(2-ethylhexyl)-3-methyl-5-(4-methylphenyl)-2H-imidazole?
The canonical SMILES for 4-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-1-(2-ethylhexyl)-3-methyl-5-(4-methylphenyl)-2H-imidazole is CCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(C4=C(c5ccc(C)cc5)N(CC(CC)CCCC)CN4C)cc3)cc21.
What is the InChIKey of 4-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-1-(2-ethylhexyl)-3-methyl-5-(4-methylphenyl)-2H-imidazole?
The InChIKey is INBMUCVTMQYULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H68N2/c1-8-12-15-17-32-51(33-18-16-13-9-2)47-34-39(6)22-30-45(47)46-31-29-44(35-48(46)51)41-25-27-42(28-26-41)49-50(43-23-20-38(5)21-24-43)53(37-52(49)7)36-40(11-4)19-14-10-3/h20-31,34-35,40H,8-19,32-33,36-37H2,1-7H3.
What are the key properties of 4-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-1-(2-ethylhexyl)-3-methyl-5-(4-methylphenyl)-2H-imidazole?
4-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-1-(2-ethylhexyl)-3-methyl-5-(4-methylphenyl)-2H-imidazole has a molecular weight of 709.12 g/mol, XLogP of 14.42, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-1-(2-ethylhexyl)-3-methyl-5-(4-methylphenyl)-2H-imidazole is sourced from PubChem (CID 135024031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).