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

C100H83N3O2 — CID 171734236

IUPAC2-[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
SMILESCc1cc(C)cc(-c2cccc(-c3cc(C)cc(C)c3)c2-c2cc(-c3c(-c4c(-c5cc(-c6ccccc6)cc(C(C)(C)C)c5)cccc4-c4cc(-c5ccccc5)cc(C(C)(C)C)c4)ccc4c3nc(-c3ccc5ccc6cccc(O)c6c5n3)n4-c3c(C)cccc3C)cc3oc4ccccc4c23)c1
InChIInChI=1S/C100H83N3O2/c1-59-45-60(2)48-71(47-59)78-33-23-34-79(72-49-61(3)46-62(4)50-72)93(78)84-57-75(58-89-94(84)82-32-19-20-38-88(82)105-89)90-83(42-44-86-96(90)102-98(103(86)97-63(5)25-21-26-64(97)6)85-43-41-68-40-39-67-31-22-37-87(104)91(67)95(68)101-85)92-80(73-51-69(65-27-15-13-16-28-65)53-76(55-73)99(7,8)9)35-24-36-81(92)74-52-70(66-29-17-14-18-30-66)54-77(56-74)100(10,11)12/h13-58,104H,1-12H3
InChIKeyDVWJGFIWWSJHJO-UHFFFAOYSA-N
MW1358.78 g/mol
LogP27.45
Rot. Bonds11

About 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

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 (PubChem CID 171734236) has the molecular formula C100H83N3O2 and a molecular weight of 1358.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID171734236
Molecular FormulaC100H83N3O2
Molecular Weight1358.78 g/mol
Exact Mass1357.65
IUPAC Name2-[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
SMILESCc1cc(C)cc(-c2cccc(-c3cc(C)cc(C)c3)c2-c2cc(-c3c(-c4c(-c5cc(-c6ccccc6)cc(C(C)(C)C)c5)cccc4-c4cc(-c5ccccc5)cc(C(C)(C)C)c4)ccc4c3nc(-c3ccc5ccc6cccc(O)c6c5n3)n4-c3c(C)cccc3C)cc3oc4ccccc4c23)c1
InChIInChI=1S/C100H83N3O2/c1-59-45-60(2)48-71(47-59)78-33-23-34-79(72-49-61(3)46-62(4)50-72)93(78)84-57-75(58-89-94(84)82-32-19-20-38-88(82)105-89)90-83(42-44-86-96(90)102-98(103(86)97-63(5)25-21-26-64(97)6)85-43-41-68-40-39-67-31-22-37-87(104)91(67)95(68)101-85)92-80(73-51-69(65-27-15-13-16-28-65)53-76(55-73)99(7,8)9)35-24-36-81(92)74-52-70(66-29-17-14-18-30-66)54-77(56-74)100(10,11)12/h13-58,104H,1-12H3
InChIKeyDVWJGFIWWSJHJO-UHFFFAOYSA-N
XLogP27.45
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001358.78
LogP ≤ 527.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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-[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-[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]-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
3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
CID 167306847
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
6-[10-(3-phenyldibenzofuran-1-yl)anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 162140725
3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170249878
1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-3-phenyldibenzofuran;3-naphthalen-2-yl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran;4-phenyl-1-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 160759969
3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]dibenzofuran-2-ol
CID 162783614
2-[6-[3-[4-(3-dibenzofuran-3-yl-1-benzofuran-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 170524330

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)cc(-c2cccc(-c3cc(C)cc(C)c3)c2-c2cc(-c3c(-c4c(-c5cc(-c6ccccc6)cc(C(C)(C)C)c5)cccc4-c4cc(-c5ccccc5)cc(C(C)(C)C)c4)ccc4c3nc(-c3ccc5ccc6cccc(O)c6c5n3)n4-c3c(C)cccc3C)cc3oc4ccccc4c23)c1.
What is the InChIKey of 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?
The InChIKey is DVWJGFIWWSJHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H83N3O2/c1-59-45-60(2)48-71(47-59)78-33-23-34-79(72-49-61(3)46-62(4)50-72)93(78)84-57-75(58-89-94(84)82-32-19-20-38-88(82)105-89)90-83(42-44-86-96(90)102-98(103(86)97-63(5)25-21-26-64(97)6)85-43-41-68-40-39-67-31-22-37-87(104)91(67)95(68)101-85)92-80(73-51-69(65-27-15-13-16-28-65)53-76(55-73)99(7,8)9)35-24-36-81(92)74-52-70(66-29-17-14-18-30-66)54-77(56-74)100(10,11)12/h13-58,104H,1-12H3.
What are the key properties of 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?
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 has a molecular weight of 1358.78 g/mol, XLogP of 27.45, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171734236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).