2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]pyridine

C55H54N6 — CID 135250038

IUPAC2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]pyridine
SMILESCC1=NC(C)(C)C(C)(C)N1c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc(N5C(C)=NC(C)(C)C5(C)C)nc4)c4ccccc4c2-3)cn1
InChIInChI=1S/C55H54N6/c1-35-58-51(3,4)53(7,8)60(35)48-29-26-38(33-56-48)37-25-28-44-46(31-37)55(40-19-13-11-14-20-40,41-21-15-12-16-22-41)47-32-45(42-23-17-18-24-43(42)50(44)47)39-27-30-49(57-34-39)61-36(2)59-52(5,6)54(61,9)10/h11-34H,1-10H3
InChIKeyOHFZHLJMNZMGBO-UHFFFAOYSA-N
MW799.08 g/mol
LogP12.92
Rot. Bonds6

About 2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]pyridine

2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]pyridine (PubChem CID 135250038) has the molecular formula C55H54N6 and a molecular weight of 799.08 g/mol. Its IUPAC name is 2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]pyridine.

Molecular Properties

Compound Name2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]pyridine
PubChem CID135250038
Molecular FormulaC55H54N6
Molecular Weight799.08 g/mol
Exact Mass798.44
IUPAC Name2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]pyridine
SMILESCC1=NC(C)(C)C(C)(C)N1c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc(N5C(C)=NC(C)(C)C5(C)C)nc4)c4ccccc4c2-3)cn1
InChIInChI=1S/C55H54N6/c1-35-58-51(3,4)53(7,8)60(35)48-29-26-38(33-56-48)37-25-28-44-46(31-37)55(40-19-13-11-14-20-40,41-21-15-12-16-22-41)47-32-45(42-23-17-18-24-43(42)50(44)47)39-27-30-49(57-34-39)61-36(2)59-52(5,6)54(61,9)10/h11-34H,1-10H3
InChIKeyOHFZHLJMNZMGBO-UHFFFAOYSA-N
XLogP12.92
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.08
LogP ≤ 512.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]pyridine with MolForge

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Related Compounds

2-[5-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
CID 135250034
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
7,7-diphenyl-5,9-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[c]fluorene
CID 59755297
7,7-diphenyl-5,9-bis[3-(3-phenylphenyl)phenyl]benzo[c]fluorene
CID 59755365
2-[5-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135250029
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
4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole
CID 135249763
2-[5-(5,7,7-triphenylbenzo[g]fluoren-9-yl)-2-pyridinyl]pyridine-4-carbonitrile
CID 118397955
4-[5-(2-cyano-4-pyridinyl)-7,7-diphenylbenzo[g]fluoren-9-yl]pyridine-2-carbonitrile
CID 118398019
5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane
CID 144772565
9-methyl-5-(4-naphthalen-2-ylphenyl)-7,7-diphenylbenzo[c]fluorene
CID 59755354
4,4,5,5-tetramethyl-2-[3-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-1,3-oxazole
CID 135249758

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]pyridine?
The IUPAC name of 2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]pyridine (CID 135250038) is 2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]pyridine.
What is the SMILES notation for 2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]pyridine?
The canonical SMILES for 2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]pyridine is CC1=NC(C)(C)C(C)(C)N1c1ccc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4ccc(N5C(C)=NC(C)(C)C5(C)C)nc4)c4ccccc4c2-3)cn1.
What is the InChIKey of 2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]pyridine?
The InChIKey is OHFZHLJMNZMGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H54N6/c1-35-58-51(3,4)53(7,8)60(35)48-29-26-38(33-56-48)37-25-28-44-46(31-37)55(40-19-13-11-14-20-40,41-21-15-12-16-22-41)47-32-45(42-23-17-18-24-43(42)50(44)47)39-27-30-49(57-34-39)61-36(2)59-52(5,6)54(61,9)10/h11-34H,1-10H3.
What are the key properties of 2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]pyridine?
2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]pyridine has a molecular weight of 799.08 g/mol, XLogP of 12.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]pyridine is sourced from PubChem (CID 135250038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).