3-tert-butyl-9-[4-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole;9-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole;9-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-methylcarbazole

C164H124N18 — CID 162162461

IUPAC3-tert-butyl-9-[4-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole;9-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole;9-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-methylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccncc1-n1c2ccccc2c2cc(C(C)(C)C)ccc21.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccncc1-n1c2ccc(C)cc2c2cc(C)ccc21.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccncc1-n1c2ccccc2c2cc(C)ccc21
InChIInChI=1S/C58H48N6.C54H40N6.C52H36N6/c1-57(2,3)40-26-29-51-46(34-40)42-21-13-15-23-48(42)63(51)50-28-25-39(56-61-54(37-17-9-7-10-18-37)60-55(62-56)38-19-11-8-12-20-38)33-45(50)44-31-32-59-36-53(44)64-49-24-16-14-22-43(49)47-35-41(58(4,5)6)27-30-52(47)64;1-33-15-20-46-41(27-33)42-28-34(2)16-21-47(42)59(46)50-24-19-39(54-57-52(37-11-7-5-8-12-37)56-53(58-54)38-13-9-6-10-14-38)31-45(50)40-25-26-55-32-51(40)60-48-22-17-35(3)29-43(48)44-30-36(4)18-23-49(44)60;1-33-21-24-46-41(29-33)38-17-9-11-19-44(38)57(46)48-26-23-37(52-55-50(35-13-5-3-6-14-35)54-51(56-52)36-15-7-4-8-16-36)31-43(48)40-27-28-53-32-49(40)58-45-20-12-10-18-39(45)42-30-34(2)22-25-47(42)58/h7-36H,1-6H3;5-32H,1-4H3;3-32H,1-2H3
InChIKeyZMRBKSOHDMRPED-UHFFFAOYSA-N
MW2346.92 g/mol
LogP40.83
Rot. Bonds18

About 3-tert-butyl-9-[4-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole;9-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole;9-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-methylcarbazole

3-tert-butyl-9-[4-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole;9-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole;9-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-methylcarbazole (PubChem CID 162162461) has the molecular formula C164H124N18 and a molecular weight of 2346.92 g/mol. Its IUPAC name is 3-tert-butyl-9-[4-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole;9-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole;9-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-methylcarbazole.

Molecular Properties

Compound Name3-tert-butyl-9-[4-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole;9-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole;9-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-methylcarbazole
PubChem CID162162461
Molecular FormulaC164H124N18
Molecular Weight2346.92 g/mol
Exact Mass2345.03
IUPAC Name3-tert-butyl-9-[4-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole;9-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole;9-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-methylcarbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccncc1-n1c2ccccc2c2cc(C(C)(C)C)ccc21.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccncc1-n1c2ccc(C)cc2c2cc(C)ccc21.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccncc1-n1c2ccccc2c2cc(C)ccc21
InChIInChI=1S/C58H48N6.C54H40N6.C52H36N6/c1-57(2,3)40-26-29-51-46(34-40)42-21-13-15-23-48(42)63(51)50-28-25-39(56-61-54(37-17-9-7-10-18-37)60-55(62-56)38-19-11-8-12-20-38)33-45(50)44-31-32-59-36-53(44)64-49-24-16-14-22-43(49)47-35-41(58(4,5)6)27-30-52(47)64;1-33-15-20-46-41(27-33)42-28-34(2)16-21-47(42)59(46)50-24-19-39(54-57-52(37-11-7-5-8-12-37)56-53(58-54)38-13-9-6-10-14-38)31-45(50)40-25-26-55-32-51(40)60-48-22-17-35(3)29-43(48)44-30-36(4)18-23-49(44)60;1-33-21-24-46-41(29-33)38-17-9-11-19-44(38)57(46)48-26-23-37(52-55-50(35-13-5-3-6-14-35)54-51(56-52)36-15-7-4-8-16-36)31-43(48)40-27-28-53-32-49(40)58-45-20-12-10-18-39(45)42-30-34(2)22-25-47(42)58/h7-36H,1-6H3;5-32H,1-4H3;3-32H,1-2H3
InChIKeyZMRBKSOHDMRPED-UHFFFAOYSA-N
XLogP40.83
TPSA184.26 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002346.92
LogP ≤ 540.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 3-tert-butyl-9-[4-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole;9-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole;9-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-methylcarbazole with MolForge

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Related Compounds

3,6-ditert-butyl-9-[3-[2-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]carbazole
CID 137385082
3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[4-methyl-2-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]-3-pyridinyl]carbazole
CID 157194443
9-[2-[5-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-carbazol-9-ylphenyl]phenyl]-3,6-ditert-butylcarbazole
CID 155636636
9-[4-[4,6-bis(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-[4-(3-isocyanocarbazol-9-yl)-3-pyridinyl]phenyl]-3-methylcarbazole
CID 161040267
9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-dimethylcarbazole
CID 138554635
3-tert-butyl-9-[4-[4-(3-tert-butyl-5-methylphenyl)-6-(3,5-ditert-butylphenyl)-1,3,5-triazin-2-yl]-2-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 163836034
9-[4-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(2,4-dimethylphenyl)carbazole;9-[4-[2-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(3,5-dimethylphenyl)carbazole;9-[4-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 159080748
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 163662138
2-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole;3-tert-butyl-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]-2,7-dimethylcarbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-4-yl)phenyl]-3,6-dimethylcarbazole
CID 159627713
2-tert-butyl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-tert-butyl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;2,7-ditert-butyl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-ditert-butyl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158906827
3,6-ditert-butyl-9-[4-[3-(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]-3-pyridinyl]carbazole
CID 122433677
9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylcarbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methyl-7-(trifluoromethyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole
CID 158163646

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9-[4-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole;9-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole;9-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-methylcarbazole?
The IUPAC name of 3-tert-butyl-9-[4-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole;9-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole;9-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-methylcarbazole (CID 162162461) is 3-tert-butyl-9-[4-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole;9-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole;9-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-methylcarbazole.
What is the SMILES notation for 3-tert-butyl-9-[4-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole;9-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole;9-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-methylcarbazole?
The canonical SMILES for 3-tert-butyl-9-[4-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole;9-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole;9-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-methylcarbazole is CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccncc1-n1c2ccccc2c2cc(C(C)(C)C)ccc21.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccncc1-n1c2ccc(C)cc2c2cc(C)ccc21.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccncc1-n1c2ccccc2c2cc(C)ccc21.
What is the InChIKey of 3-tert-butyl-9-[4-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole;9-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole;9-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-methylcarbazole?
The InChIKey is ZMRBKSOHDMRPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N6.C54H40N6.C52H36N6/c1-57(2,3)40-26-29-51-46(34-40)42-21-13-15-23-48(42)63(51)50-28-25-39(56-61-54(37-17-9-7-10-18-37)60-55(62-56)38-19-11-8-12-20-38)33-45(50)44-31-32-59-36-53(44)64-49-24-16-14-22-43(49)47-35-41(58(4,5)6)27-30-52(47)64;1-33-15-20-46-41(27-33)42-28-34(2)16-21-47(42)59(46)50-24-19-39(54-57-52(37-11-7-5-8-12-37)56-53(58-54)38-13-9-6-10-14-38)31-45(50)40-25-26-55-32-51(40)60-48-22-17-35(3)29-43(48)44-30-36(4)18-23-49(44)60;1-33-21-24-46-41(29-33)38-17-9-11-19-44(38)57(46)48-26-23-37(52-55-50(35-13-5-3-6-14-35)54-51(56-52)36-15-7-4-8-16-36)31-43(48)40-27-28-53-32-49(40)58-45-20-12-10-18-39(45)42-30-34(2)22-25-47(42)58/h7-36H,1-6H3;5-32H,1-4H3;3-32H,1-2H3.
What are the key properties of 3-tert-butyl-9-[4-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole;9-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole;9-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-methylcarbazole?
3-tert-butyl-9-[4-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole;9-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole;9-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-methylcarbazole has a molecular weight of 2346.92 g/mol, XLogP of 40.83, 18 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-9-[4-[2-(3-tert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]carbazole;9-[4-[2-(3,6-dimethylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-3,6-dimethylcarbazole;9-[4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]-3-pyridinyl]-3-methylcarbazole is sourced from PubChem (CID 162162461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).