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

C72H61N3O2 — CID 171734170

IUPAC2-[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
SMILESCc1cccc(C)c1-n1c(-c2ccc3c(n2)-c2c(O)cccc2CC3)nc2c(-c3cc(-c4c(-c5cccc(C(C)(C)C)c5)cccc4-c4cc(-c5ccccc5)cc(C(C)(C)C)c4)c4c(c3)oc3ccccc34)cccc21
InChIInChI=1S/C72H61N3O2/c1-43-19-14-20-44(2)69(43)75-60-30-18-29-56(68(60)74-70(75)59-36-35-47-34-33-46-23-16-31-61(76)64(46)67(47)73-59)51-41-58(66-57-26-12-13-32-62(57)77-63(66)42-51)65-54(48-24-15-25-52(38-48)71(3,4)5)27-17-28-55(65)50-37-49(45-21-10-9-11-22-45)39-53(40-50)72(6,7)8/h9-32,35-42,76H,33-34H2,1-8H3
InChIKeyORFFFRAWDRAVMV-UHFFFAOYSA-N
MW1000.30 g/mol
LogP19.00
Rot. Bonds7

About 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

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 (PubChem CID 171734170) has the molecular formula C72H61N3O2 and a molecular weight of 1000.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID171734170
Molecular FormulaC72H61N3O2
Molecular Weight1000.30 g/mol
Exact Mass999.48
IUPAC Name2-[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
SMILESCc1cccc(C)c1-n1c(-c2ccc3c(n2)-c2c(O)cccc2CC3)nc2c(-c3cc(-c4c(-c5cccc(C(C)(C)C)c5)cccc4-c4cc(-c5ccccc5)cc(C(C)(C)C)c4)c4c(c3)oc3ccccc34)cccc21
InChIInChI=1S/C72H61N3O2/c1-43-19-14-20-44(2)69(43)75-60-30-18-29-56(68(60)74-70(75)59-36-35-47-34-33-46-23-16-31-61(76)64(46)67(47)73-59)51-41-58(66-57-26-12-13-32-62(57)77-63(66)42-51)65-54(48-24-15-25-52(38-48)71(3,4)5)27-17-28-55(65)50-37-49(45-21-10-9-11-22-45)39-53(40-50)72(6,7)8/h9-32,35-42,76H,33-34H2,1-8H3
InChIKeyORFFFRAWDRAVMV-UHFFFAOYSA-N
XLogP19.00
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001000.30
LogP ≤ 519.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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-[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-[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-[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-[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-[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-[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-[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
3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]dibenzofuran-2-ol
CID 162783614
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-15-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-5-phenylphenyl]benzimidazol-2-yl]phenol
CID 162783177
2-[4-[3-([1]benzofuro[2,3-c]pyridin-1-yl)-5-tert-butylphenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol
CID 162783195

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cccc(C)c1-n1c(-c2ccc3c(n2)-c2c(O)cccc2CC3)nc2c(-c3cc(-c4c(-c5cccc(C(C)(C)C)c5)cccc4-c4cc(-c5ccccc5)cc(C(C)(C)C)c4)c4c(c3)oc3ccccc34)cccc21.
What is the InChIKey of 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?
The InChIKey is ORFFFRAWDRAVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H61N3O2/c1-43-19-14-20-44(2)69(43)75-60-30-18-29-56(68(60)74-70(75)59-36-35-47-34-33-46-23-16-31-61(76)64(46)67(47)73-59)51-41-58(66-57-26-12-13-32-62(57)77-63(66)42-51)65-54(48-24-15-25-52(38-48)71(3,4)5)27-17-28-55(65)50-37-49(45-21-10-9-11-22-45)39-53(40-50)72(6,7)8/h9-32,35-42,76H,33-34H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 1000.30 g/mol, XLogP of 19.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171734170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).