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

C60H45N3O2 — CID 171734153

IUPAC2-[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
SMILESCc1cc(C)cc(-c2cccc(-c3ccccc3)c2-c2cc(-c3cccc4c3nc(-c3ccc5c(n3)-c3c(O)cccc3CC5)n4-c3c(C)cccc3C)cc3oc4ccccc4c23)c1
InChIInChI=1S/C60H45N3O2/c1-35-30-36(2)32-42(31-35)45-21-12-20-44(39-16-6-5-7-17-39)55(45)48-33-43(34-53-56(48)47-19-8-9-25-52(47)65-53)46-22-13-23-50-58(46)62-60(63(50)59-37(3)14-10-15-38(59)4)49-29-28-41-27-26-40-18-11-24-51(64)54(40)57(41)61-49/h5-25,28-34,64H,26-27H2,1-4H3
InChIKeyHQXCJHCQUGXECO-UHFFFAOYSA-N
MW840.04 g/mol
LogP15.36
Rot. Bonds6

About 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

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 (PubChem CID 171734153) has the molecular formula C60H45N3O2 and a molecular weight of 840.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID171734153
Molecular FormulaC60H45N3O2
Molecular Weight840.04 g/mol
Exact Mass839.35
IUPAC Name2-[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
SMILESCc1cc(C)cc(-c2cccc(-c3ccccc3)c2-c2cc(-c3cccc4c3nc(-c3ccc5c(n3)-c3c(O)cccc3CC5)n4-c3c(C)cccc3C)cc3oc4ccccc4c23)c1
InChIInChI=1S/C60H45N3O2/c1-35-30-36(2)32-42(31-35)45-21-12-20-44(39-16-6-5-7-17-39)55(45)48-33-43(34-53-56(48)47-19-8-9-25-52(47)65-53)46-22-13-23-50-58(46)62-60(63(50)59-37(3)14-10-15-38(59)4)49-29-28-41-27-26-40-18-11-24-51(64)54(40)57(41)61-49/h5-25,28-34,64H,26-27H2,1-4H3
InChIKeyHQXCJHCQUGXECO-UHFFFAOYSA-N
XLogP15.36
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.04
LogP ≤ 515.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 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-[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-[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-[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-[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-[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
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-[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-[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-(2-dibenzofuran-2-yl-1-phenylimidazol-4-yl)-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171596669
2-[1-dibenzofuran-2-yl-2-(8-phenyldibenzofuran-2-yl)imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171596739
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)cc(-c2cccc(-c3ccccc3)c2-c2cc(-c3cccc4c3nc(-c3ccc5c(n3)-c3c(O)cccc3CC5)n4-c3c(C)cccc3C)cc3oc4ccccc4c23)c1.
What is the InChIKey of 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?
The InChIKey is HQXCJHCQUGXECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45N3O2/c1-35-30-36(2)32-42(31-35)45-21-12-20-44(39-16-6-5-7-17-39)55(45)48-33-43(34-53-56(48)47-19-8-9-25-52(47)65-53)46-22-13-23-50-58(46)62-60(63(50)59-37(3)14-10-15-38(59)4)49-29-28-41-27-26-40-18-11-24-51(64)54(40)57(41)61-49/h5-25,28-34,64H,26-27H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 840.04 g/mol, XLogP of 15.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171734153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).