N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-N-(2,6-diphenylphenyl)-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine

C55H49N5 — CID 155623126

IUPACN-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-N-(2,6-diphenylphenyl)-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine
SMILESCC(C)c1ccnc(-n2c3ccccc3c3ccc(N(c4cccc(N5CN(C(C)(C)C)c6ccccc65)c4)c4c(-c5ccccc5)cccc4-c4ccccc4)cc32)c1
InChIInChI=1S/C55H49N5/c1-38(2)41-32-33-56-53(34-41)60-49-27-13-12-24-47(49)48-31-30-44(36-52(48)60)59(54-45(39-18-8-6-9-19-39)25-17-26-46(54)40-20-10-7-11-21-40)43-23-16-22-42(35-43)57-37-58(55(3,4)5)51-29-15-14-28-50(51)57/h6-36,38H,37H2,1-5H3
InChIKeyLGFHPFQBFMSOET-UHFFFAOYSA-N
MW780.03 g/mol
LogP14.82
Rot. Bonds8

About N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-N-(2,6-diphenylphenyl)-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine

N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-N-(2,6-diphenylphenyl)-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine (PubChem CID 155623126) has the molecular formula C55H49N5 and a molecular weight of 780.03 g/mol. Its IUPAC name is N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-N-(2,6-diphenylphenyl)-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine.

Molecular Properties

Compound NameN-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-N-(2,6-diphenylphenyl)-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine
PubChem CID155623126
Molecular FormulaC55H49N5
Molecular Weight780.03 g/mol
Exact Mass779.40
IUPAC NameN-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-N-(2,6-diphenylphenyl)-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine
SMILESCC(C)c1ccnc(-n2c3ccccc3c3ccc(N(c4cccc(N5CN(C(C)(C)C)c6ccccc65)c4)c4c(-c5ccccc5)cccc4-c4ccccc4)cc32)c1
InChIInChI=1S/C55H49N5/c1-38(2)41-32-33-56-53(34-41)60-49-27-13-12-24-47(49)48-31-30-44(36-52(48)60)59(54-45(39-18-8-6-9-19-39)25-17-26-46(54)40-20-10-7-11-21-40)43-23-16-22-42(35-43)57-37-58(55(3,4)5)51-29-15-14-28-50(51)57/h6-36,38H,37H2,1-5H3
InChIKeyLGFHPFQBFMSOET-UHFFFAOYSA-N
XLogP14.82
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500780.03
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-9-[4-(2-phenylphenyl)-2-pyridinyl]-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine
CID 155623173
N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-N-phenyl-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+)
CID 167381741
N-(2,6-diphenylphenyl)-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-amine;platinum(2+)
CID 155623092
2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 167399451
9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine
CID 177276738
[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-(4-phenyl-2-pyridinyl)carbazol-2-yl]silane
CID 167382846
9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenyl]-N-phenylcarbazol-2-amine
CID 169065994
diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]silane
CID 167382940
[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]silane
CID 167382172
[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]-diphenylsilane
CID 167381968
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-(2,6-dimethylphenyl)-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
CID 155622863

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-N-(2,6-diphenylphenyl)-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine?
The IUPAC name of N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-N-(2,6-diphenylphenyl)-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine (CID 155623126) is N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-N-(2,6-diphenylphenyl)-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine.
What is the SMILES notation for N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-N-(2,6-diphenylphenyl)-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine?
The canonical SMILES for N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-N-(2,6-diphenylphenyl)-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine is CC(C)c1ccnc(-n2c3ccccc3c3ccc(N(c4cccc(N5CN(C(C)(C)C)c6ccccc65)c4)c4c(-c5ccccc5)cccc4-c4ccccc4)cc32)c1.
What is the InChIKey of N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-N-(2,6-diphenylphenyl)-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine?
The InChIKey is LGFHPFQBFMSOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H49N5/c1-38(2)41-32-33-56-53(34-41)60-49-27-13-12-24-47(49)48-31-30-44(36-52(48)60)59(54-45(39-18-8-6-9-19-39)25-17-26-46(54)40-20-10-7-11-21-40)43-23-16-22-42(35-43)57-37-58(55(3,4)5)51-29-15-14-28-50(51)57/h6-36,38H,37H2,1-5H3.
What are the key properties of N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-N-(2,6-diphenylphenyl)-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine?
N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-N-(2,6-diphenylphenyl)-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine has a molecular weight of 780.03 g/mol, XLogP of 14.82, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-N-(2,6-diphenylphenyl)-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine is sourced from PubChem (CID 155623126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).