2-[4-[4-[2,6-bis(3,5-dimethylphenyl)phenyl]dibenzofuran-2-yl]-5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol

C92H85N3O2 — CID 171734260

IUPAC2-[4-[4-[2,6-bis(3,5-dimethylphenyl)phenyl]dibenzofuran-2-yl]-5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
SMILESCc1cc(C)cc(-c2cccc(-c3cc(C)cc(C)c3)c2-c2cc(-c3c(-c4c(-c5cc(C(C)C)cc(C(C)C)c5)cccc4-c4cc(C(C)C)cc(C(C)C)c4)ccc4c3nc(-c3ccc5c(n3)-c3c(O)cccc3CC5)n4-c3c(C)cccc3C)cc3c2oc2ccccc23)c1
InChIInChI=1S/C92H85N3O2/c1-51(2)63-43-64(52(3)4)46-69(45-63)74-27-20-28-75(70-47-65(53(5)6)44-66(48-70)54(7)8)86(74)77-34-36-81-89(94-92(95(81)90-59(13)21-17-22-60(90)14)80-35-33-62-32-31-61-23-18-29-82(96)85(61)88(62)93-80)84(77)71-49-78-76-24-15-16-30-83(76)97-91(78)79(50-71)87-72(67-39-55(9)37-56(10)40-67)25-19-26-73(87)68-41-57(11)38-58(12)42-68/h15-30,33-54,96H,31-32H2,1-14H3
InChIKeyGJMFBRNMYZZQCS-UHFFFAOYSA-N
MW1264.71 g/mol
LogP25.47
Rot. Bonds13

About 2-[4-[4-[2,6-bis(3,5-dimethylphenyl)phenyl]dibenzofuran-2-yl]-5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol

2-[4-[4-[2,6-bis(3,5-dimethylphenyl)phenyl]dibenzofuran-2-yl]-5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol (PubChem CID 171734260) has the molecular formula C92H85N3O2 and a molecular weight of 1264.71 g/mol. Its IUPAC name is 2-[4-[4-[2,6-bis(3,5-dimethylphenyl)phenyl]dibenzofuran-2-yl]-5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol.

Molecular Properties

Compound Name2-[4-[4-[2,6-bis(3,5-dimethylphenyl)phenyl]dibenzofuran-2-yl]-5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
PubChem CID171734260
Molecular FormulaC92H85N3O2
Molecular Weight1264.71 g/mol
Exact Mass1263.66
IUPAC Name2-[4-[4-[2,6-bis(3,5-dimethylphenyl)phenyl]dibenzofuran-2-yl]-5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
SMILESCc1cc(C)cc(-c2cccc(-c3cc(C)cc(C)c3)c2-c2cc(-c3c(-c4c(-c5cc(C(C)C)cc(C(C)C)c5)cccc4-c4cc(C(C)C)cc(C(C)C)c4)ccc4c3nc(-c3ccc5c(n3)-c3c(O)cccc3CC5)n4-c3c(C)cccc3C)cc3c2oc2ccccc23)c1
InChIInChI=1S/C92H85N3O2/c1-51(2)63-43-64(52(3)4)46-69(45-63)74-27-20-28-75(70-47-65(53(5)6)44-66(48-70)54(7)8)86(74)77-34-36-81-89(94-92(95(81)90-59(13)21-17-22-60(90)14)80-35-33-62-32-31-61-23-18-29-82(96)85(61)88(62)93-80)84(77)71-49-78-76-24-15-16-30-83(76)97-91(78)79(50-71)87-72(67-39-55(9)37-56(10)40-67)25-19-26-73(87)68-41-57(11)38-58(12)42-68/h15-30,33-54,96H,31-32H2,1-14H3
InChIKeyGJMFBRNMYZZQCS-UHFFFAOYSA-N
XLogP25.47
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001264.71
LogP ≤ 525.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-[2,6-bis(3,5-dimethylphenyl)phenyl]dibenzofuran-2-yl]-5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol with MolForge

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Related Compounds

2-[4-[4-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-3H-dibenzofuran-3-id-2-yl]-1-(2,6-dimethylphenyl)-5-(2,6-diphenylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol;platinum
CID 171734311
2-[1-(2,6-dimethylphenyl)-4-[4-(2,6-diphenylphenyl)dibenzofuran-2-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171734333
2-[1-(2,6-dimethylphenyl)-4-[1-[2-(3,5-dimethylphenyl)-6-phenylphenyl]dibenzofuran-3-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171734153
2-[1-(2,6-dimethylphenyl)-4-[3-[2-[3,5-di(propan-2-yl)phenyl]-6-phenylphenyl]phenyl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171734335
2-[1-(2,6-dimethylphenyl)-4-[4-[2-phenyl-6-(2,4,6-trimethylphenyl)phenyl]-3H-dibenzofuran-3-id-2-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol;platinum
CID 171734254
2-[1-(2,6-dimethylphenyl)-4-[1-(2,6-diphenylphenyl)dibenzofuran-3-yl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171734275
2-[4-[1-[2-(3-tert-butylphenyl)-6-(3-tert-butyl-5-phenylphenyl)phenyl]dibenzofuran-3-yl]-1-(2,6-dimethylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171734170
2-[5-[2,6-bis(3-tert-butyl-5-phenylphenyl)phenyl]-4-[1-[2,6-bis(3,5-dimethylphenyl)phenyl]dibenzofuran-3-yl]-1-(2,6-dimethylphenyl)benzimidazol-2-yl]benzo[h]quinolin-10-ol
CID 171734236
2-[5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)-4-phenylbenzimidazol-2-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol;platinum
CID 171734212
2-[4-[1-[2-(3-tert-butylphenyl)-6-(3-tert-butyl-5-phenylphenyl)phenyl]-2H-dibenzofuran-2-id-3-yl]-1-(2,6-dimethylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol;platinum
CID 171734169
2-[2-dibenzofuran-2-yl-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171596701
2-(2-dibenzofuran-2-yl-1-phenylimidazol-4-yl)-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171596669

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2,6-bis(3,5-dimethylphenyl)phenyl]dibenzofuran-2-yl]-5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?
The IUPAC name of 2-[4-[4-[2,6-bis(3,5-dimethylphenyl)phenyl]dibenzofuran-2-yl]-5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol (CID 171734260) is 2-[4-[4-[2,6-bis(3,5-dimethylphenyl)phenyl]dibenzofuran-2-yl]-5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol.
What is the SMILES notation for 2-[4-[4-[2,6-bis(3,5-dimethylphenyl)phenyl]dibenzofuran-2-yl]-5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?
The canonical SMILES for 2-[4-[4-[2,6-bis(3,5-dimethylphenyl)phenyl]dibenzofuran-2-yl]-5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol is Cc1cc(C)cc(-c2cccc(-c3cc(C)cc(C)c3)c2-c2cc(-c3c(-c4c(-c5cc(C(C)C)cc(C(C)C)c5)cccc4-c4cc(C(C)C)cc(C(C)C)c4)ccc4c3nc(-c3ccc5c(n3)-c3c(O)cccc3CC5)n4-c3c(C)cccc3C)cc3c2oc2ccccc23)c1.
What is the InChIKey of 2-[4-[4-[2,6-bis(3,5-dimethylphenyl)phenyl]dibenzofuran-2-yl]-5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?
The InChIKey is GJMFBRNMYZZQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H85N3O2/c1-51(2)63-43-64(52(3)4)46-69(45-63)74-27-20-28-75(70-47-65(53(5)6)44-66(48-70)54(7)8)86(74)77-34-36-81-89(94-92(95(81)90-59(13)21-17-22-60(90)14)80-35-33-62-32-31-61-23-18-29-82(96)85(61)88(62)93-80)84(77)71-49-78-76-24-15-16-30-83(76)97-91(78)79(50-71)87-72(67-39-55(9)37-56(10)40-67)25-19-26-73(87)68-41-57(11)38-58(12)42-68/h15-30,33-54,96H,31-32H2,1-14H3.
What are the key properties of 2-[4-[4-[2,6-bis(3,5-dimethylphenyl)phenyl]dibenzofuran-2-yl]-5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol?
2-[4-[4-[2,6-bis(3,5-dimethylphenyl)phenyl]dibenzofuran-2-yl]-5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol has a molecular weight of 1264.71 g/mol, XLogP of 25.47, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2,6-bis(3,5-dimethylphenyl)phenyl]dibenzofuran-2-yl]-5-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-1-(2,6-dimethylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol is sourced from PubChem (CID 171734260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).