2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]benzimidazol-2-yl]phenol

C64H64N4O2 — CID 170660645

IUPAC2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]benzimidazol-2-yl]phenol
SMILESCC(C)(C)Cc1ccc(-c2cc3ncnc(-c4cc(-c5cccc6c5nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5O)n6-c5ccc(C(C)(C)C)cc5-c5ccccc5)c5ccccc5c4)c3o2)cc1
InChIInChI=1S/C64H64N4O2/c1-61(2,3)37-39-25-27-41(28-26-39)55-36-52-59(70-55)56(66-38-65-52)43-31-42-21-16-17-22-46(42)49(32-43)47-23-18-24-54-57(47)67-60(50-34-45(63(7,8)9)35-51(58(50)69)64(10,11)12)68(54)53-30-29-44(62(4,5)6)33-48(53)40-19-14-13-15-20-40/h13-36,38,69H,37H2,1-12H3
InChIKeySVYVGEZMWZNCKV-UHFFFAOYSA-N
MW921.24 g/mol
LogP17.24
Rot. Bonds7

About 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]benzimidazol-2-yl]phenol

2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]benzimidazol-2-yl]phenol (PubChem CID 170660645) has the molecular formula C64H64N4O2 and a molecular weight of 921.24 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]benzimidazol-2-yl]phenol
PubChem CID170660645
Molecular FormulaC64H64N4O2
Molecular Weight921.24 g/mol
Exact Mass920.50
IUPAC Name2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]benzimidazol-2-yl]phenol
SMILESCC(C)(C)Cc1ccc(-c2cc3ncnc(-c4cc(-c5cccc6c5nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5O)n6-c5ccc(C(C)(C)C)cc5-c5ccccc5)c5ccccc5c4)c3o2)cc1
InChIInChI=1S/C64H64N4O2/c1-61(2,3)37-39-25-27-41(28-26-39)55-36-52-59(70-55)56(66-38-65-52)43-31-42-21-16-17-22-46(42)49(32-43)47-23-18-24-54-57(47)67-60(50-34-45(63(7,8)9)35-51(58(50)69)64(10,11)12)68(54)53-30-29-44(62(4,5)6)33-48(53)40-19-14-13-15-20-40/h13-36,38,69H,37H2,1-12H3
InChIKeySVYVGEZMWZNCKV-UHFFFAOYSA-N
XLogP17.24
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.24
LogP ≤ 517.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]benzimidazol-2-yl]phenol with MolForge

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Related Compounds

2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[4-(2,4,6-trimethylphenyl)-3-oxa-7-thia-10,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-9-yl]naphthalen-1-yl]benzimidazol-2-yl]phenol
CID 170545646
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[2-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-c]pyridin-4-yl]-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
CID 170660587
2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-ylnaphthalen-1-yl)benzimidazol-2-yl]phenol
CID 140832752
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
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[4-[4-(2,2-dimethylpropyl)-3-oxa-7-thia-10,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-9-yl]dibenzofuran-2-yl]benzimidazol-2-yl]phenol
CID 170545609
2,4-ditert-butyl-6-[1-(2,4-diphenylphenyl)-4-(3-isoquinolin-1-ylphenyl)benzimidazol-2-yl]phenol
CID 140831896
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]phenol
CID 164823623
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[7-(2,2-dimethylpropyl)-9,9-diethyl-[1]benzogermolo[2,3-c]pyridin-1-yl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 172528305
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-15-yl)-5-(2-phenylpropan-2-yl)phenyl]benzimidazol-2-yl]phenol
CID 162783662
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5-phenylpyrido[4,3-b]indol-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 162784151
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[2-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]dibenzofuran-4-yl]benzimidazol-2-yl]phenol
CID 162783141
2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[8-(2,4-dimethyl-3-propan-2-ylpentan-3-yl)quinazolin-4-yl]benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
CID 172542906

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]benzimidazol-2-yl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]benzimidazol-2-yl]phenol (CID 170660645) is 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]benzimidazol-2-yl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]benzimidazol-2-yl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]benzimidazol-2-yl]phenol is CC(C)(C)Cc1ccc(-c2cc3ncnc(-c4cc(-c5cccc6c5nc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5O)n6-c5ccc(C(C)(C)C)cc5-c5ccccc5)c5ccccc5c4)c3o2)cc1.
What is the InChIKey of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]benzimidazol-2-yl]phenol?
The InChIKey is SVYVGEZMWZNCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H64N4O2/c1-61(2,3)37-39-25-27-41(28-26-39)55-36-52-59(70-55)56(66-38-65-52)43-31-42-21-16-17-22-46(42)49(32-43)47-23-18-24-54-57(47)67-60(50-34-45(63(7,8)9)35-51(58(50)69)64(10,11)12)68(54)53-30-29-44(62(4,5)6)33-48(53)40-19-14-13-15-20-40/h13-36,38,69H,37H2,1-12H3.
What are the key properties of 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]benzimidazol-2-yl]phenol?
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]benzimidazol-2-yl]phenol has a molecular weight of 921.24 g/mol, XLogP of 17.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-[6-[4-(2,2-dimethylpropyl)phenyl]furo[3,2-d]pyrimidin-4-yl]naphthalen-1-yl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 170660645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).