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

C68H67N5 — CID 161370511

IUPACN-[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
SMILESCC(C)(C)c1cc(N2CN(c3cccc(N(c4ccccc4)c4ccc5c6cc(C(C)(C)c7ccccc7)ccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)c3)c3ccccc32)cc(C(C)(C)C)c1
InChIInChI=1S/C68H67N5/c1-65(2,3)51-39-52(66(4,5)6)41-57(40-51)71-46-70(61-31-20-21-32-62(61)71)54-29-22-30-55(44-54)72(53-27-18-13-19-28-53)56-34-35-58-59-42-49(67(7,8)47-23-14-11-15-24-47)33-36-60(59)73(63(58)45-56)64-43-50(37-38-69-64)68(9,10)48-25-16-12-17-26-48/h11-45H,46H2,1-10H3
InChIKeySTXFVIRBIQRWGQ-UHFFFAOYSA-N
MW954.32 g/mol
LogP18.14
Rot. Bonds10

About 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

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 (PubChem CID 161370511) has the molecular formula C68H67N5 and a molecular weight of 954.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID161370511
Molecular FormulaC68H67N5
Molecular Weight954.32 g/mol
Exact Mass953.54
IUPAC NameN-[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
SMILESCC(C)(C)c1cc(N2CN(c3cccc(N(c4ccccc4)c4ccc5c6cc(C(C)(C)c7ccccc7)ccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)c3)c3ccccc32)cc(C(C)(C)C)c1
InChIInChI=1S/C68H67N5/c1-65(2,3)51-39-52(66(4,5)6)41-57(40-51)71-46-70(61-31-20-21-32-62(61)71)54-29-22-30-55(44-54)72(53-27-18-13-19-28-53)56-34-35-58-59-42-49(67(7,8)47-23-14-11-15-24-47)33-36-60(59)73(63(58)45-56)64-43-50(37-38-69-64)68(9,10)48-25-16-12-17-26-48/h11-45H,46H2,1-10H3
InChIKeySTXFVIRBIQRWGQ-UHFFFAOYSA-N
XLogP18.14
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.32
LogP ≤ 518.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-9-[4-(1,1-diphenylethyl)-2-pyridinyl]-N-phenylcarbazol-2-amine
CID 158993975
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
2-[2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]-6-(1,1-diphenylethyl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 162141528
6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 161429388
6-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 157150290
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
2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-tert-butyl-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 157150987
2-[3-[6-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159303635
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-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 158408346
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]-7-(2-phenylpropan-2-yl)carbazole
CID 158357333
2-[3-tert-butyl-5-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)carbazole
CID 160624158

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc(N2CN(c3cccc(N(c4ccccc4)c4ccc5c6cc(C(C)(C)c7ccccc7)ccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)c3)c3ccccc32)cc(C(C)(C)C)c1.
What is the InChIKey of 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?
The InChIKey is STXFVIRBIQRWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H67N5/c1-65(2,3)51-39-52(66(4,5)6)41-57(40-51)71-46-70(61-31-20-21-32-62(61)71)54-29-22-30-55(44-54)72(53-27-18-13-19-28-53)56-34-35-58-59-42-49(67(7,8)47-23-14-11-15-24-47)33-36-60(59)73(63(58)45-56)64-43-50(37-38-69-64)68(9,10)48-25-16-12-17-26-48/h11-45H,46H2,1-10H3.
What are the key properties of 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?
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 has a molecular weight of 954.32 g/mol, XLogP of 18.14, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161370511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).