9-(4-tert-butyl-2-pyridinyl)-N-(3,5-ditert-butylphenyl)-N-[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]carbazol-2-amine

C48H52N6 — CID 168848640

IUPAC9-(4-tert-butyl-2-pyridinyl)-N-(3,5-ditert-butylphenyl)-N-[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]carbazol-2-amine
SMILESCN1CN(c2ccnc(N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2ccccc21
InChIInChI=1S/C48H52N6/c1-46(2,3)32-21-23-49-44(28-32)54-40-16-12-11-15-38(40)39-20-19-36(29-43(39)54)53(37-26-33(47(4,5)6)25-34(27-37)48(7,8)9)45-30-35(22-24-50-45)52-31-51(10)41-17-13-14-18-42(41)52/h11-30H,31H2,1-10H3
InChIKeyFCSZCHPOWGGHDD-UHFFFAOYSA-N
MW712.99 g/mol
LogP12.48
Rot. Bonds5

About 9-(4-tert-butyl-2-pyridinyl)-N-(3,5-ditert-butylphenyl)-N-[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]carbazol-2-amine

9-(4-tert-butyl-2-pyridinyl)-N-(3,5-ditert-butylphenyl)-N-[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]carbazol-2-amine (PubChem CID 168848640) has the molecular formula C48H52N6 and a molecular weight of 712.99 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-N-(3,5-ditert-butylphenyl)-N-[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]carbazol-2-amine.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-N-(3,5-ditert-butylphenyl)-N-[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]carbazol-2-amine
PubChem CID168848640
Molecular FormulaC48H52N6
Molecular Weight712.99 g/mol
Exact Mass712.43
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-N-(3,5-ditert-butylphenyl)-N-[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]carbazol-2-amine
SMILESCN1CN(c2ccnc(N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2ccccc21
InChIInChI=1S/C48H52N6/c1-46(2,3)32-21-23-49-44(28-32)54-40-16-12-11-15-38(40)39-20-19-36(29-43(39)54)53(37-26-33(47(4,5)6)25-34(27-37)48(7,8)9)45-30-35(22-24-50-45)52-31-51(10)41-17-13-14-18-42(41)52/h11-30H,31H2,1-10H3
InChIKeyFCSZCHPOWGGHDD-UHFFFAOYSA-N
XLogP12.48
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.99
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole
CID 167399505
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155622877
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
9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]carbazole
CID 167382027
2-[3-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606525
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
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(dideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 176635688
2-[[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606511
9-(4-tert-butyl-2-pyridinyl)-2-[4-(2,6-ditert-butylphenyl)-6-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 164786675
2-[3-tert-butyl-5-(5-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenyl]sulfonyl-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606505
9-(4-tert-butyl-2-pyridinyl)-2-[[4-(3-methyl-2H-benzimidazol-1-yl)-6-phenyl-2-pyridinyl]oxy]carbazole
CID 168848689

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-N-(3,5-ditert-butylphenyl)-N-[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]carbazol-2-amine?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-N-(3,5-ditert-butylphenyl)-N-[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]carbazol-2-amine (CID 168848640) is 9-(4-tert-butyl-2-pyridinyl)-N-(3,5-ditert-butylphenyl)-N-[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]carbazol-2-amine.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-N-(3,5-ditert-butylphenyl)-N-[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]carbazol-2-amine?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-N-(3,5-ditert-butylphenyl)-N-[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]carbazol-2-amine is CN1CN(c2ccnc(N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2ccccc21.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-N-(3,5-ditert-butylphenyl)-N-[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]carbazol-2-amine?
The InChIKey is FCSZCHPOWGGHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52N6/c1-46(2,3)32-21-23-49-44(28-32)54-40-16-12-11-15-38(40)39-20-19-36(29-43(39)54)53(37-26-33(47(4,5)6)25-34(27-37)48(7,8)9)45-30-35(22-24-50-45)52-31-51(10)41-17-13-14-18-42(41)52/h11-30H,31H2,1-10H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-N-(3,5-ditert-butylphenyl)-N-[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]carbazol-2-amine?
9-(4-tert-butyl-2-pyridinyl)-N-(3,5-ditert-butylphenyl)-N-[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]carbazol-2-amine has a molecular weight of 712.99 g/mol, XLogP of 12.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-N-(3,5-ditert-butylphenyl)-N-[4-(3-methyl-2H-benzimidazol-1-yl)-2-pyridinyl]carbazol-2-amine is sourced from PubChem (CID 168848640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).