9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-tert-butyl-5-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)phenyl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]carbazole

C53H54N7+ — CID 176862410

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-tert-butyl-5-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)phenyl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESCc1cc(C)c(-c2nc(-c3cc(-n4c[n+](C)c5cc(C)c(C)cc54)cc(C(C)(C)C)c3)nc(-c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)n2)c(C)c1
InChIInChI=1S/C53H54N7/c1-31-21-34(4)48(35(5)22-31)51-56-49(36-17-18-42-41-15-13-14-16-43(41)60(44(42)27-36)47-29-38(19-20-54-47)52(6,7)8)55-50(57-51)37-25-39(53(9,10)11)28-40(26-37)59-30-58(12)45-23-32(2)33(3)24-46(45)59/h13-30H,1-12H3/q+1
InChIKeyQQPTUPKMQHOJSK-UHFFFAOYSA-N
MW789.06 g/mol
LogP12.27
Rot. Bonds5

About 9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-tert-butyl-5-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)phenyl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-tert-butyl-5-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)phenyl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 176862410) has the molecular formula C53H54N7+ and a molecular weight of 789.06 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-tert-butyl-5-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)phenyl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-tert-butyl-5-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)phenyl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]carbazole
PubChem CID176862410
Molecular FormulaC53H54N7+
Molecular Weight789.06 g/mol
Exact Mass788.44
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-tert-butyl-5-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)phenyl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]carbazole
SMILESCc1cc(C)c(-c2nc(-c3cc(-n4c[n+](C)c5cc(C)c(C)cc54)cc(C(C)(C)C)c3)nc(-c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)n2)c(C)c1
InChIInChI=1S/C53H54N7/c1-31-21-34(4)48(35(5)22-31)51-56-49(36-17-18-42-41-15-13-14-16-43(41)60(44(42)27-36)47-29-38(19-20-54-47)52(6,7)8)55-50(57-51)37-25-39(53(9,10)11)28-40(26-37)59-30-58(12)45-23-32(2)33(3)24-46(45)59/h13-30H,1-12H3/q+1
InChIKeyQQPTUPKMQHOJSK-UHFFFAOYSA-N
XLogP12.27
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.06
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-tert-butyl-5-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)phenyl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-tert-butylphenyl)-6-chloro-1,3,5-triazin-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 164786555
2-[3-[3-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176782429
9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-2-[[4-(3-methylbenzimidazol-3-ium-1-yl)-2-pyridinyl]oxy]carbazole
CID 168848594
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
3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(3-methylbenzimidazol-3-ium-1-yl)benzonitrile
CID 155636117
2-[3-tert-butyl-5-[(4-tert-butyl-2-pyridinyl)oxy]phenyl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153421843
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(trideuteriomethyl)benzimidazol-3-ium-1-yl]phenoxy]carbazole iodide
CID 137364561
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,6-dimethylphenyl)benzimidazol-3-ium-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]carbazole chloride
CID 138559328
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole
CID 146179751
2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)-7-(2,4,6-trimethylphenyl)carbazole
CID 155652710
9-(4-tert-butyl-2-pyridinyl)-2-[3-phenyl-5-[3-(2,4,6-trimethylphenyl)pyrazol-1-yl]phenoxy]carbazole
CID 177105125

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-tert-butyl-5-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)phenyl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-tert-butyl-5-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)phenyl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]carbazole (CID 176862410) is 9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-tert-butyl-5-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)phenyl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-tert-butyl-5-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)phenyl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-tert-butyl-5-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)phenyl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]carbazole is Cc1cc(C)c(-c2nc(-c3cc(-n4c[n+](C)c5cc(C)c(C)cc54)cc(C(C)(C)C)c3)nc(-c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)n2)c(C)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-tert-butyl-5-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)phenyl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]carbazole?
The InChIKey is QQPTUPKMQHOJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H54N7/c1-31-21-34(4)48(35(5)22-31)51-56-49(36-17-18-42-41-15-13-14-16-43(41)60(44(42)27-36)47-29-38(19-20-54-47)52(6,7)8)55-50(57-51)37-25-39(53(9,10)11)28-40(26-37)59-30-58(12)45-23-32(2)33(3)24-46(45)59/h13-30H,1-12H3/q+1.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-tert-butyl-5-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)phenyl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]carbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[4-[3-tert-butyl-5-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)phenyl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]carbazole has a molecular weight of 789.06 g/mol, XLogP of 12.27, 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)-2-[4-[3-tert-butyl-5-(3,5,6-trimethylbenzimidazol-3-ium-1-yl)phenyl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 176862410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).