9-[4-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-imidazo[4,5-c]pyridin-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-1,8-dimethylcarbazole

C59H51N9O — CID 176783335

IUPAC9-[4-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-imidazo[4,5-c]pyridin-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-1,8-dimethylcarbazole
SMILESCc1cc(C)c(-c2nc(N3CN(c4cccc(Oc5ccc6c7ccccc7n(-c7cc(C(C)(C)C)ccn7)c6c5)c4)c4cnccc43)nc(-n3c4c(C)cccc4c4cccc(C)c43)n2)c(C)c1
InChIInChI=1S/C59H51N9O/c1-35-28-38(4)53(39(5)29-35)56-62-57(64-58(63-56)68-54-36(2)14-11-19-46(54)47-20-12-15-37(3)55(47)68)66-34-65(51-33-60-26-25-49(51)66)41-16-13-17-42(31-41)69-43-22-23-45-44-18-9-10-21-48(44)67(50(45)32-43)52-30-40(24-27-61-52)59(6,7)8/h9-33H,34H2,1-8H3
InChIKeyFPAYJORMMTVMQG-UHFFFAOYSA-N
MW902.12 g/mol
LogP14.40
Rot. Bonds7

About 9-[4-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-imidazo[4,5-c]pyridin-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-1,8-dimethylcarbazole

9-[4-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-imidazo[4,5-c]pyridin-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-1,8-dimethylcarbazole (PubChem CID 176783335) has the molecular formula C59H51N9O and a molecular weight of 902.12 g/mol. Its IUPAC name is 9-[4-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-imidazo[4,5-c]pyridin-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-1,8-dimethylcarbazole.

Molecular Properties

Compound Name9-[4-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-imidazo[4,5-c]pyridin-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-1,8-dimethylcarbazole
PubChem CID176783335
Molecular FormulaC59H51N9O
Molecular Weight902.12 g/mol
Exact Mass901.42
IUPAC Name9-[4-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-imidazo[4,5-c]pyridin-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-1,8-dimethylcarbazole
SMILESCc1cc(C)c(-c2nc(N3CN(c4cccc(Oc5ccc6c7ccccc7n(-c7cc(C(C)(C)C)ccn7)c6c5)c4)c4cnccc43)nc(-n3c4c(C)cccc4c4cccc(C)c43)n2)c(C)c1
InChIInChI=1S/C59H51N9O/c1-35-28-38(4)53(39(5)29-35)56-62-57(64-58(63-56)68-54-36(2)14-11-19-46(54)47-20-12-15-37(3)55(47)68)66-34-65(51-33-60-26-25-49(51)66)41-16-13-17-42(31-41)69-43-22-23-45-44-18-9-10-21-48(44)67(50(45)32-43)52-30-40(24-27-61-52)59(6,7)8/h9-33H,34H2,1-8H3
InChIKeyFPAYJORMMTVMQG-UHFFFAOYSA-N
XLogP14.40
TPSA90.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.12
LogP ≤ 514.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9-[4-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-imidazo[4,5-c]pyridin-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-1,8-dimethylcarbazole with MolForge

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Related Compounds

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
2-[3-[1-(4-tert-butyl-2,6-dimethylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176782231
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-quinolin-2-yl-2H-imidazo[4,5-c]pyridin-1-yl)phenoxy]carbazole
CID 176783228
2-[3-(1-tert-butyl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783389
5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole
CID 176782965
2-[3-[1-[4-tert-butyl-2,6-bis(3,5-ditert-butylphenyl)phenyl]-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176782165
2-[3-[1-(4-tert-butyl-2,6-diphenylphenyl)-2H-imidazo[4,5-c]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783962
9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzofuran-2-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole
CID 176782820
9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzothiophen-4-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole
CID 176782306
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-dimethyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 153490598
2-[3-[3-[2-(4-tert-butylphenyl)-3-methylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651137
9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzothiophen-1-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole
CID 176782056

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-imidazo[4,5-c]pyridin-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-1,8-dimethylcarbazole?
The IUPAC name of 9-[4-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-imidazo[4,5-c]pyridin-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-1,8-dimethylcarbazole (CID 176783335) is 9-[4-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-imidazo[4,5-c]pyridin-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-1,8-dimethylcarbazole.
What is the SMILES notation for 9-[4-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-imidazo[4,5-c]pyridin-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-1,8-dimethylcarbazole?
The canonical SMILES for 9-[4-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-imidazo[4,5-c]pyridin-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-1,8-dimethylcarbazole is Cc1cc(C)c(-c2nc(N3CN(c4cccc(Oc5ccc6c7ccccc7n(-c7cc(C(C)(C)C)ccn7)c6c5)c4)c4cnccc43)nc(-n3c4c(C)cccc4c4cccc(C)c43)n2)c(C)c1.
What is the InChIKey of 9-[4-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-imidazo[4,5-c]pyridin-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-1,8-dimethylcarbazole?
The InChIKey is FPAYJORMMTVMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H51N9O/c1-35-28-38(4)53(39(5)29-35)56-62-57(64-58(63-56)68-54-36(2)14-11-19-46(54)47-20-12-15-37(3)55(47)68)66-34-65(51-33-60-26-25-49(51)66)41-16-13-17-42(31-41)69-43-22-23-45-44-18-9-10-21-48(44)67(50(45)32-43)52-30-40(24-27-61-52)59(6,7)8/h9-33H,34H2,1-8H3.
What are the key properties of 9-[4-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-imidazo[4,5-c]pyridin-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-1,8-dimethylcarbazole?
9-[4-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-imidazo[4,5-c]pyridin-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-1,8-dimethylcarbazole has a molecular weight of 902.12 g/mol, XLogP of 14.40, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-2H-imidazo[4,5-c]pyridin-1-yl]-6-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-1,8-dimethylcarbazole is sourced from PubChem (CID 176783335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).