2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-ylcarbazole

C75H67N7O — CID 168799742

IUPAC2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-ylcarbazole
SMILESCC(C)(C)c1ccc(-c2cccc(-c3ccc(C(C)(C)C)cc3)c2N2CN(c3cccc(Oc4cc5c(cc4-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)c4cc(C(C)(C)C)ccc4n5-c4ccccn4)c3)c3ccccc32)cc1
InChIInChI=1S/C75H67N7O/c1-73(2,3)53-37-33-49(34-38-53)58-28-21-29-59(50-35-39-54(40-36-50)74(4,5)6)69(58)81-48-80(64-30-16-17-31-65(64)81)56-26-20-27-57(45-56)83-67-47-66-61(60-44-55(75(7,8)9)41-42-63(60)82(66)68-32-18-19-43-76-68)46-62(67)72-78-70(51-22-12-10-13-23-51)77-71(79-72)52-24-14-11-15-25-52/h10-47H,48H2,1-9H3
InChIKeyIEMURSKLIIOAGV-UHFFFAOYSA-N
MW1082.41 g/mol
LogP19.63
Rot. Bonds10

About 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-ylcarbazole

2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-ylcarbazole (PubChem CID 168799742) has the molecular formula C75H67N7O and a molecular weight of 1082.41 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-ylcarbazole
PubChem CID168799742
Molecular FormulaC75H67N7O
Molecular Weight1082.41 g/mol
Exact Mass1081.54
IUPAC Name2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-ylcarbazole
SMILESCC(C)(C)c1ccc(-c2cccc(-c3ccc(C(C)(C)C)cc3)c2N2CN(c3cccc(Oc4cc5c(cc4-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)c4cc(C(C)(C)C)ccc4n5-c4ccccn4)c3)c3ccccc32)cc1
InChIInChI=1S/C75H67N7O/c1-73(2,3)53-37-33-49(34-38-53)58-28-21-29-59(50-35-39-54(40-36-50)74(4,5)6)69(58)81-48-80(64-30-16-17-31-65(64)81)56-26-20-27-57(45-56)83-67-47-66-61(60-44-55(75(7,8)9)41-42-63(60)82(66)68-32-18-19-43-76-68)46-62(67)72-78-70(51-22-12-10-13-23-51)77-71(79-72)52-24-14-11-15-25-52/h10-47H,48H2,1-9H3
InChIKeyIEMURSKLIIOAGV-UHFFFAOYSA-N
XLogP19.63
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001082.41
LogP ≤ 519.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-ylcarbazole 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

3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 168799751
2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole
CID 168780490
3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-2-[3-[3-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 168799509
2-[3-[3-[2-(4-tert-butylphenyl)-6-(3-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-3,6-diphenyl-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 168780625
2-[3-[1-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783069
2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]benzimidazole-1,3-diium-1-yl]phenoxy]-3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-6-tert-butyl-9-pyridin-2-ylcarbazole
CID 168799736
6-(4-tert-butylphenyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)carbazole
CID 168780708
9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
CID 168780514
2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-methyl-5-phenyl-2-pyridinyl)-6-phenylcarbazole
CID 168780267
5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole
CID 170677138
9-[4-[2,6-bis(4-tert-butylphenyl)phenoxy]-2-pyridinyl]-2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 170671561
11-[3-[3-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-14-(4-tert-butyl-2-pyridinyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 176782987

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-ylcarbazole?
The IUPAC name of 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-ylcarbazole (CID 168799742) is 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-ylcarbazole?
The canonical SMILES for 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-ylcarbazole is CC(C)(C)c1ccc(-c2cccc(-c3ccc(C(C)(C)C)cc3)c2N2CN(c3cccc(Oc4cc5c(cc4-c4nc(-c6ccccc6)nc(-c6ccccc6)n4)c4cc(C(C)(C)C)ccc4n5-c4ccccn4)c3)c3ccccc32)cc1.
What is the InChIKey of 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-ylcarbazole?
The InChIKey is IEMURSKLIIOAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H67N7O/c1-73(2,3)53-37-33-49(34-38-53)58-28-21-29-59(50-35-39-54(40-36-50)74(4,5)6)69(58)81-48-80(64-30-16-17-31-65(64)81)56-26-20-27-57(45-56)83-67-47-66-61(60-44-55(75(7,8)9)41-42-63(60)82(66)68-32-18-19-43-76-68)46-62(67)72-78-70(51-22-12-10-13-23-51)77-71(79-72)52-24-14-11-15-25-52/h10-47H,48H2,1-9H3.
What are the key properties of 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-ylcarbazole?
2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-ylcarbazole has a molecular weight of 1082.41 g/mol, XLogP of 19.63, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 168799742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).