2,4,4,5,5-pentamethyl-1-[4-[3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-11,11-diphenylbenzo[a]fluoren-9-yl]phenyl]imidazole

C57H56N4 — CID 135250416

IUPAC2,4,4,5,5-pentamethyl-1-[4-[3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-11,11-diphenylbenzo[a]fluoren-9-yl]phenyl]imidazole
SMILESCC1=NC(C)(C)C(C)(C)N1c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3ccc3cc(-c4ccc(N5C(C)=NC(C)(C)C5(C)C)cc4)ccc23)cc1
InChIInChI=1S/C57H56N4/c1-37-58-53(3,4)55(7,8)60(37)46-28-21-39(22-29-46)41-25-32-48-43(35-41)27-34-50-49-33-26-42(40-23-30-47(31-24-40)61-38(2)59-54(5,6)56(61,9)10)36-51(49)57(52(48)50,44-17-13-11-14-18-44)45-19-15-12-16-20-45/h11-36H,1-10H3
InChIKeyHMNYGAXVXIPXAX-UHFFFAOYSA-N
MW797.10 g/mol
LogP14.13
Rot. Bonds6

About 2,4,4,5,5-pentamethyl-1-[4-[3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-11,11-diphenylbenzo[a]fluoren-9-yl]phenyl]imidazole

2,4,4,5,5-pentamethyl-1-[4-[3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-11,11-diphenylbenzo[a]fluoren-9-yl]phenyl]imidazole (PubChem CID 135250416) has the molecular formula C57H56N4 and a molecular weight of 797.10 g/mol. Its IUPAC name is 2,4,4,5,5-pentamethyl-1-[4-[3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-11,11-diphenylbenzo[a]fluoren-9-yl]phenyl]imidazole.

Molecular Properties

Compound Name2,4,4,5,5-pentamethyl-1-[4-[3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-11,11-diphenylbenzo[a]fluoren-9-yl]phenyl]imidazole
PubChem CID135250416
Molecular FormulaC57H56N4
Molecular Weight797.10 g/mol
Exact Mass796.45
IUPAC Name2,4,4,5,5-pentamethyl-1-[4-[3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-11,11-diphenylbenzo[a]fluoren-9-yl]phenyl]imidazole
SMILESCC1=NC(C)(C)C(C)(C)N1c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3ccc3cc(-c4ccc(N5C(C)=NC(C)(C)C5(C)C)cc4)ccc23)cc1
InChIInChI=1S/C57H56N4/c1-37-58-53(3,4)55(7,8)60(37)46-28-21-39(22-29-46)41-25-32-48-43(35-41)27-34-50-49-33-26-42(40-23-30-47(31-24-40)61-38(2)59-54(5,6)56(61,9)10)36-51(49)57(52(48)50,44-17-13-11-14-18-44)45-19-15-12-16-20-45/h11-36H,1-10H3
InChIKeyHMNYGAXVXIPXAX-UHFFFAOYSA-N
XLogP14.13
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.10
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4,4,5,5-pentamethyl-1-[4-[3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-11,11-diphenylbenzo[a]fluoren-9-yl]phenyl]imidazole with MolForge

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Related Compounds

4,4,5,5-tetramethyl-1-phenyl-2-[3-[7'-[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]imidazole
CID 135249937
3-(3,5-dinaphthalen-2-ylphenyl)-11,11-diphenylbenzo[a]fluorene
CID 166034195
3-(9,11,11-triphenylbenzo[a]fluoren-3-yl)naphtho[2,3-b][1]benzofuran
CID 166034226
2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
CID 155465679
3-[6-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-9-phenylcarbazole
CID 166034115
2-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-2-pyridinyl]benzo[c]fluoren-5-yl]-6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)pyridine
CID 135250017
2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465377
2-[2-[3-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158922421
2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine
CID 155465809
3-phenanthren-9-yl-11,11-diphenylbenzo[a]fluorene
CID 166034552
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
2-[4-(11,11-diphenylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778060

Frequently Asked Questions

What is the IUPAC name of 2,4,4,5,5-pentamethyl-1-[4-[3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-11,11-diphenylbenzo[a]fluoren-9-yl]phenyl]imidazole?
The IUPAC name of 2,4,4,5,5-pentamethyl-1-[4-[3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-11,11-diphenylbenzo[a]fluoren-9-yl]phenyl]imidazole (CID 135250416) is 2,4,4,5,5-pentamethyl-1-[4-[3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-11,11-diphenylbenzo[a]fluoren-9-yl]phenyl]imidazole.
What is the SMILES notation for 2,4,4,5,5-pentamethyl-1-[4-[3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-11,11-diphenylbenzo[a]fluoren-9-yl]phenyl]imidazole?
The canonical SMILES for 2,4,4,5,5-pentamethyl-1-[4-[3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-11,11-diphenylbenzo[a]fluoren-9-yl]phenyl]imidazole is CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2c-3ccc3cc(-c4ccc(N5C(C)=NC(C)(C)C5(C)C)cc4)ccc23)cc1.
What is the InChIKey of 2,4,4,5,5-pentamethyl-1-[4-[3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-11,11-diphenylbenzo[a]fluoren-9-yl]phenyl]imidazole?
The InChIKey is HMNYGAXVXIPXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H56N4/c1-37-58-53(3,4)55(7,8)60(37)46-28-21-39(22-29-46)41-25-32-48-43(35-41)27-34-50-49-33-26-42(40-23-30-47(31-24-40)61-38(2)59-54(5,6)56(61,9)10)36-51(49)57(52(48)50,44-17-13-11-14-18-44)45-19-15-12-16-20-45/h11-36H,1-10H3.
What are the key properties of 2,4,4,5,5-pentamethyl-1-[4-[3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-11,11-diphenylbenzo[a]fluoren-9-yl]phenyl]imidazole?
2,4,4,5,5-pentamethyl-1-[4-[3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-11,11-diphenylbenzo[a]fluoren-9-yl]phenyl]imidazole has a molecular weight of 797.10 g/mol, XLogP of 14.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,5,5-pentamethyl-1-[4-[3-[4-(2,4,4,5,5-pentamethylimidazol-1-yl)phenyl]-11,11-diphenylbenzo[a]fluoren-9-yl]phenyl]imidazole is sourced from PubChem (CID 135250416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).