N-[3-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-phenylphenyl]propan-2-yl]phenyl]-N-phenylpyridin-2-amine

C63H58N4 — CID 155651452

IUPACN-[3-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-phenylphenyl]propan-2-yl]phenyl]-N-phenylpyridin-2-amine
SMILESCC(C)(c1cc(-c2ccccc2)cc(N2CN(c3cc(C(C)(C)c4ccccc4)cc(C(C)(C)c4ccccc4)c3)c3ccccc32)c1)c1cccc(N(c2ccccc2)c2ccccn2)c1
InChIInChI=1S/C63H58N4/c1-61(2,48-26-13-8-14-27-48)52-40-53(62(3,4)49-28-15-9-16-29-49)44-57(43-52)66-45-65(58-34-19-20-35-59(58)66)56-39-47(46-24-11-7-12-25-46)38-51(42-56)63(5,6)50-30-23-33-55(41-50)67(54-31-17-10-18-32-54)60-36-21-22-37-64-60/h7-44H,45H2,1-6H3
InChIKeyMKOMSKRXOKRHOM-UHFFFAOYSA-N
MW871.19 g/mol
LogP16.44
Rot. Bonds12

About N-[3-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-phenylphenyl]propan-2-yl]phenyl]-N-phenylpyridin-2-amine

N-[3-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-phenylphenyl]propan-2-yl]phenyl]-N-phenylpyridin-2-amine (PubChem CID 155651452) has the molecular formula C63H58N4 and a molecular weight of 871.19 g/mol. Its IUPAC name is N-[3-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-phenylphenyl]propan-2-yl]phenyl]-N-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-[3-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-phenylphenyl]propan-2-yl]phenyl]-N-phenylpyridin-2-amine
PubChem CID155651452
Molecular FormulaC63H58N4
Molecular Weight871.19 g/mol
Exact Mass870.47
IUPAC NameN-[3-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-phenylphenyl]propan-2-yl]phenyl]-N-phenylpyridin-2-amine
SMILESCC(C)(c1cc(-c2ccccc2)cc(N2CN(c3cc(C(C)(C)c4ccccc4)cc(C(C)(C)c4ccccc4)c3)c3ccccc32)c1)c1cccc(N(c2ccccc2)c2ccccn2)c1
InChIInChI=1S/C63H58N4/c1-61(2,48-26-13-8-14-27-48)52-40-53(62(3,4)49-28-15-9-16-29-49)44-57(43-52)66-45-65(58-34-19-20-35-59(58)66)56-39-47(46-24-11-7-12-25-46)38-51(42-56)63(5,6)50-30-23-33-55(41-50)67(54-31-17-10-18-32-54)60-36-21-22-37-64-60/h7-44H,45H2,1-6H3
InChIKeyMKOMSKRXOKRHOM-UHFFFAOYSA-N
XLogP16.44
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.19
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-phenylphenyl]propan-2-yl]phenyl]-N-phenylpyridin-2-amine with MolForge

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Related Compounds

N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-N-phenyl-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazol-2-amine
CID 161370511
2-[2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651337
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole
CID 162177244
2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2-phenylpropan-2-yl)carbazole
CID 162165008
2-tert-butyl-7-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158502494
N,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline
CID 122463724
2-[4-tert-butyl-6-[3-tert-butyl-5-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]-4-(2-phenylpropan-2-yl)phenol
CID 164742517
2,4-ditert-butyl-6-[4-(2-phenylpropan-2-yl)-6-[3-phenyl-5-(N-pyridin-2-ylanilino)phenyl]-2-pyridinyl]phenol
CID 164742018
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
CID 159931893
2-[6-[3-tert-butyl-5-(N-[4-(2-phenylpropan-2-yl)-2-pyridinyl]anilino)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenol
CID 164742880
N-[3-[4-(3,5-ditert-butylphenyl)-6-(3-phenyl-1H-indazol-7-yl)-2-pyridinyl]phenyl]-N-phenylpyridin-2-amine
CID 140854118
N-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenyl]-9-(4-tert-butyl-2-pyridinyl)-N-methylcarbazol-2-amine
CID 158436050

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-phenylphenyl]propan-2-yl]phenyl]-N-phenylpyridin-2-amine?
The IUPAC name of N-[3-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-phenylphenyl]propan-2-yl]phenyl]-N-phenylpyridin-2-amine (CID 155651452) is N-[3-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-phenylphenyl]propan-2-yl]phenyl]-N-phenylpyridin-2-amine.
What is the SMILES notation for N-[3-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-phenylphenyl]propan-2-yl]phenyl]-N-phenylpyridin-2-amine?
The canonical SMILES for N-[3-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-phenylphenyl]propan-2-yl]phenyl]-N-phenylpyridin-2-amine is CC(C)(c1cc(-c2ccccc2)cc(N2CN(c3cc(C(C)(C)c4ccccc4)cc(C(C)(C)c4ccccc4)c3)c3ccccc32)c1)c1cccc(N(c2ccccc2)c2ccccn2)c1.
What is the InChIKey of N-[3-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-phenylphenyl]propan-2-yl]phenyl]-N-phenylpyridin-2-amine?
The InChIKey is MKOMSKRXOKRHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H58N4/c1-61(2,48-26-13-8-14-27-48)52-40-53(62(3,4)49-28-15-9-16-29-49)44-57(43-52)66-45-65(58-34-19-20-35-59(58)66)56-39-47(46-24-11-7-12-25-46)38-51(42-56)63(5,6)50-30-23-33-55(41-50)67(54-31-17-10-18-32-54)60-36-21-22-37-64-60/h7-44H,45H2,1-6H3.
What are the key properties of N-[3-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-phenylphenyl]propan-2-yl]phenyl]-N-phenylpyridin-2-amine?
N-[3-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-phenylphenyl]propan-2-yl]phenyl]-N-phenylpyridin-2-amine has a molecular weight of 871.19 g/mol, XLogP of 16.44, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-phenylphenyl]propan-2-yl]phenyl]-N-phenylpyridin-2-amine is sourced from PubChem (CID 155651452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).