9-[4-[2-(2,6-dimethylphenyl)phenyl]-2-pyridinyl]-2-[2-methyl-5-[4-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazol-3-yl]phenoxy]carbazole

C51H45N5O — CID 163523233

IUPAC9-[4-[2-(2,6-dimethylphenyl)phenyl]-2-pyridinyl]-2-[2-methyl-5-[4-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazol-3-yl]phenoxy]carbazole
SMILESCc1ccc(-c2nncn2-c2c(C)c(C)c(C)c(C)c2C)cc1Oc1ccc2c3ccccc3n(-c3cc(-c4ccccc4-c4c(C)cccc4C)ccn3)c2c1
InChIInChI=1S/C51H45N5O/c1-30-20-21-39(51-54-53-29-55(51)50-36(7)34(5)33(4)35(6)37(50)8)26-47(30)57-40-22-23-43-42-17-11-12-19-45(42)56(46(43)28-40)48-27-38(24-25-52-48)41-16-9-10-18-44(41)49-31(2)14-13-15-32(49)3/h9-29H,1-8H3
InChIKeyZCCCJGOKYDKVBG-UHFFFAOYSA-N
MW743.96 g/mol
LogP13.02
Rot. Bonds7

About 9-[4-[2-(2,6-dimethylphenyl)phenyl]-2-pyridinyl]-2-[2-methyl-5-[4-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazol-3-yl]phenoxy]carbazole

9-[4-[2-(2,6-dimethylphenyl)phenyl]-2-pyridinyl]-2-[2-methyl-5-[4-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazol-3-yl]phenoxy]carbazole (PubChem CID 163523233) has the molecular formula C51H45N5O and a molecular weight of 743.96 g/mol. Its IUPAC name is 9-[4-[2-(2,6-dimethylphenyl)phenyl]-2-pyridinyl]-2-[2-methyl-5-[4-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazol-3-yl]phenoxy]carbazole.

Molecular Properties

Compound Name9-[4-[2-(2,6-dimethylphenyl)phenyl]-2-pyridinyl]-2-[2-methyl-5-[4-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazol-3-yl]phenoxy]carbazole
PubChem CID163523233
Molecular FormulaC51H45N5O
Molecular Weight743.96 g/mol
Exact Mass743.36
IUPAC Name9-[4-[2-(2,6-dimethylphenyl)phenyl]-2-pyridinyl]-2-[2-methyl-5-[4-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazol-3-yl]phenoxy]carbazole
SMILESCc1ccc(-c2nncn2-c2c(C)c(C)c(C)c(C)c2C)cc1Oc1ccc2c3ccccc3n(-c3cc(-c4ccccc4-c4c(C)cccc4C)ccn3)c2c1
InChIInChI=1S/C51H45N5O/c1-30-20-21-39(51-54-53-29-55(51)50-36(7)34(5)33(4)35(6)37(50)8)26-47(30)57-40-22-23-43-42-17-11-12-19-45(42)56(46(43)28-40)48-27-38(24-25-52-48)41-16-9-10-18-44(41)49-31(2)14-13-15-32(49)3/h9-29H,1-8H3
InChIKeyZCCCJGOKYDKVBG-UHFFFAOYSA-N
XLogP13.02
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.96
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[4-[2-(2,6-dimethylphenyl)phenyl]-2-pyridinyl]-2-[2-methyl-5-[4-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazol-3-yl]phenoxy]carbazole with MolForge

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Related Compounds

2-[2-[4-(2-phenylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-4-yl]oxy-9-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]carbazole
CID 163523231
3-(2-methylphenyl)-11-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]oxy-[1,2,4]triazolo[4,3-f]phenanthridine
CID 153411411
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-1,2,4-triazol-4-yl)phenoxy]carbazole
CID 170654633
9-[4-(2-bromophenyl)-2-pyridinyl]-2-methoxycarbazole
CID 168810843
11-[7-(2,6-dimethylphenyl)-9-pyridin-2-ylcarbazol-2-yl]oxy-[1,2,4]triazolo[4,3-f]phenanthridine
CID 139335575
2-[3-[3-methyl-4-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenylphenyl)-2-pyridinyl]carbazole
CID 163748784
1-[3-[9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazol-2-yl]oxyphenyl]-3-(trideuteriomethyl)-2,1,3-benzoxadiazole
CID 160561549
2-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]carbazole
CID 167401965
8-(2,6-dimethylphenyl)-3-methyl-11-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[4,3-f]phenanthridine
CID 153411649
2-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-ethoxy-2-pyridinyl)carbazole
CID 153415656
9-(4-chloro-2-pyridinyl)-2-[3-(3-iodo-2,4,6-trimethylphenyl)phenoxy]carbazole
CID 166052902
3-(2,6-dimethylphenyl)-10-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene
CID 153411687

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(2,6-dimethylphenyl)phenyl]-2-pyridinyl]-2-[2-methyl-5-[4-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazol-3-yl]phenoxy]carbazole?
The IUPAC name of 9-[4-[2-(2,6-dimethylphenyl)phenyl]-2-pyridinyl]-2-[2-methyl-5-[4-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazol-3-yl]phenoxy]carbazole (CID 163523233) is 9-[4-[2-(2,6-dimethylphenyl)phenyl]-2-pyridinyl]-2-[2-methyl-5-[4-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazol-3-yl]phenoxy]carbazole.
What is the SMILES notation for 9-[4-[2-(2,6-dimethylphenyl)phenyl]-2-pyridinyl]-2-[2-methyl-5-[4-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazol-3-yl]phenoxy]carbazole?
The canonical SMILES for 9-[4-[2-(2,6-dimethylphenyl)phenyl]-2-pyridinyl]-2-[2-methyl-5-[4-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazol-3-yl]phenoxy]carbazole is Cc1ccc(-c2nncn2-c2c(C)c(C)c(C)c(C)c2C)cc1Oc1ccc2c3ccccc3n(-c3cc(-c4ccccc4-c4c(C)cccc4C)ccn3)c2c1.
What is the InChIKey of 9-[4-[2-(2,6-dimethylphenyl)phenyl]-2-pyridinyl]-2-[2-methyl-5-[4-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazol-3-yl]phenoxy]carbazole?
The InChIKey is ZCCCJGOKYDKVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H45N5O/c1-30-20-21-39(51-54-53-29-55(51)50-36(7)34(5)33(4)35(6)37(50)8)26-47(30)57-40-22-23-43-42-17-11-12-19-45(42)56(46(43)28-40)48-27-38(24-25-52-48)41-16-9-10-18-44(41)49-31(2)14-13-15-32(49)3/h9-29H,1-8H3.
What are the key properties of 9-[4-[2-(2,6-dimethylphenyl)phenyl]-2-pyridinyl]-2-[2-methyl-5-[4-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazol-3-yl]phenoxy]carbazole?
9-[4-[2-(2,6-dimethylphenyl)phenyl]-2-pyridinyl]-2-[2-methyl-5-[4-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazol-3-yl]phenoxy]carbazole has a molecular weight of 743.96 g/mol, XLogP of 13.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(2,6-dimethylphenyl)phenyl]-2-pyridinyl]-2-[2-methyl-5-[4-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazol-3-yl]phenoxy]carbazole is sourced from PubChem (CID 163523233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).