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

C75H67N7O — CID 168799751

IUPAC3-[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
SMILES[2H]c1c([2H])c([2H])c(-c2cc(C(C)(C)C)cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2CN(c3cccc(Oc4cc5c(cc4-c4nc(-c6ccc(C(C)(C)C)cc6)nc(-c6ccc(C(C)(C)C)cc6)n4)c4ccccc4n5-c4ccccn4)c3)c3ccccc32)c([2H])c1[2H]
InChIInChI=1S/C75H67N7O/c1-73(2,3)53-38-34-51(35-39-53)70-77-71(52-36-40-54(41-37-52)74(4,5)6)79-72(78-70)62-46-61-58-29-16-17-30-63(58)82(68-33-20-21-42-76-68)66(61)47-67(62)83-57-28-22-27-56(45-57)80-48-81(65-32-19-18-31-64(65)80)69-59(49-23-12-10-13-24-49)43-55(75(7,8)9)44-60(69)50-25-14-11-15-26-50/h10-47H,48H2,1-9H3/i10D,11D,12D,13D,14D,15D,23D,24D,25D,26D
InChIKeyKJZPMOOEYYCCAY-AQFBBTQOSA-N
MW1092.47 g/mol
LogP19.63
Rot. Bonds10

About 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

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 (PubChem CID 168799751) has the molecular formula C75H67N7O and a molecular weight of 1092.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID168799751
Molecular FormulaC75H67N7O
Molecular Weight1092.47 g/mol
Exact Mass1091.60
IUPAC Name3-[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
SMILES[2H]c1c([2H])c([2H])c(-c2cc(C(C)(C)C)cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2CN(c3cccc(Oc4cc5c(cc4-c4nc(-c6ccc(C(C)(C)C)cc6)nc(-c6ccc(C(C)(C)C)cc6)n4)c4ccccc4n5-c4ccccn4)c3)c3ccccc32)c([2H])c1[2H]
InChIInChI=1S/C75H67N7O/c1-73(2,3)53-38-34-51(35-39-53)70-77-71(52-36-40-54(41-37-52)74(4,5)6)79-72(78-70)62-46-61-58-29-16-17-30-63(58)82(68-33-20-21-42-76-68)66(61)47-67(62)83-57-28-22-27-56(45-57)80-48-81(65-32-19-18-31-64(65)80)69-59(49-23-12-10-13-24-49)43-55(75(7,8)9)44-60(69)50-25-14-11-15-26-50/h10-47H,48H2,1-9H3/i10D,11D,12D,13D,14D,15D,23D,24D,25D,26D
InChIKeyKJZPMOOEYYCCAY-AQFBBTQOSA-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 ≤ 5001092.47
LogP ≤ 519.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 170671606
6-(3,5-ditert-butylphenyl)-2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 164788741
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-[4-tert-butyl-2-[3-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-3,6-dipropyl-9-pyridin-2-ylcarbazole
CID 177128657
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
2-[3-[3-[4-tert-butyl-2-(3-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(4-tert-butylphenyl)-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 170780556
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-imidazol-1-yl]phenoxy]-3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-9-pyridin-2-ylcarbazole
CID 168799727
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 170671759
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3,4,5-trideuterio-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 169024845
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]carbazole
CID 168780590
2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-yl-6-(2,3,5,6-tetradeuterio-4-methylphenyl)carbazole
CID 158273463

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2cc(C(C)(C)C)cc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2CN(c3cccc(Oc4cc5c(cc4-c4nc(-c6ccc(C(C)(C)C)cc6)nc(-c6ccc(C(C)(C)C)cc6)n4)c4ccccc4n5-c4ccccn4)c3)c3ccccc32)c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is KJZPMOOEYYCCAY-AQFBBTQOSA-N. The full InChI is InChI=1S/C75H67N7O/c1-73(2,3)53-38-34-51(35-39-53)70-77-71(52-36-40-54(41-37-52)74(4,5)6)79-72(78-70)62-46-61-58-29-16-17-30-63(58)82(68-33-20-21-42-76-68)66(61)47-67(62)83-57-28-22-27-56(45-57)80-48-81(65-32-19-18-31-64(65)80)69-59(49-23-12-10-13-24-49)43-55(75(7,8)9)44-60(69)50-25-14-11-15-26-50/h10-47H,48H2,1-9H3/i10D,11D,12D,13D,14D,15D,23D,24D,25D,26D.
What are the key properties of 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?
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 has a molecular weight of 1092.47 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 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 is sourced from PubChem (CID 168799751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).