9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole

C48H42N4 — CID 167399505

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole
SMILESCN1CN(c2cccc(C(c3ccccc3)(c3ccccc3)c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2ccccc21
InChIInChI=1S/C48H42N4/c1-47(2,3)36-28-29-49-46(32-36)52-42-23-12-11-22-40(42)41-27-26-38(31-45(41)52)48(34-16-7-5-8-17-34,35-18-9-6-10-19-35)37-20-15-21-39(30-37)51-33-50(4)43-24-13-14-25-44(43)51/h5-32H,33H2,1-4H3
InChIKeyRKHTXUTWSGPJSB-UHFFFAOYSA-N
MW674.89 g/mol
LogP11.40
Rot. Bonds6

About 9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole (PubChem CID 167399505) has the molecular formula C48H42N4 and a molecular weight of 674.89 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole
PubChem CID167399505
Molecular FormulaC48H42N4
Molecular Weight674.89 g/mol
Exact Mass674.34
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole
SMILESCN1CN(c2cccc(C(c3ccccc3)(c3ccccc3)c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2ccccc21
InChIInChI=1S/C48H42N4/c1-47(2,3)36-28-29-49-46(32-36)52-42-23-12-11-22-40(42)41-27-26-38(31-45(41)52)48(34-16-7-5-8-17-34,35-18-9-6-10-19-35)37-20-15-21-39(30-37)51-33-50(4)43-24-13-14-25-44(43)51/h5-32H,33H2,1-4H3
InChIKeyRKHTXUTWSGPJSB-UHFFFAOYSA-N
XLogP11.40
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.89
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]carbazole
CID 167382027
9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-bis[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenyl]methyl]carbazole
CID 176645144
2-[[3-tert-butyl-5-(3,5-dimethyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606511
2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-methyl-2-pyridinyl)carbazole
CID 167399526
2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-diphenylmethyl]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole
CID 169055773
2-[[3-tert-butyl-5-(5-tert-butyl-3,6-dimethyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 171771527
2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 167399451
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-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]methyl]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole
CID 167399455
2-[3-(6-tert-butyl-3-methyl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155606525
[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenylsilane
CID 155651075
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(dideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 176635688

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole (CID 167399505) is 9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole is CN1CN(c2cccc(C(c3ccccc3)(c3ccccc3)c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2ccccc21.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole?
The InChIKey is RKHTXUTWSGPJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N4/c1-47(2,3)36-28-29-49-46(32-36)52-42-23-12-11-22-40(42)41-27-26-38(31-45(41)52)48(34-16-7-5-8-17-34,35-18-9-6-10-19-35)37-20-15-21-39(30-37)51-33-50(4)43-24-13-14-25-44(43)51/h5-32H,33H2,1-4H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole has a molecular weight of 674.89 g/mol, XLogP of 11.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole is sourced from PubChem (CID 167399505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).