3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole

C368H262F6N24 — CID 161317622

IUPAC3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2cc(C(C)(C)C)ccc21.Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cccc2-n2c3ccccc3c3cc(-c4ccc(C)cc4)ccc32)cc1.Cc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccccc1-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cccc1-n1c2ccc(C)cc2c2cc(C(F)(F)F)ccc21.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2cc(C)ccc21.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cccc2-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c1.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2cc(-c3ccccc3C)ccc21
InChIInChI=1S/3C66H46N4.C60H50N4.C56H36F6N4.C54H38N4/c1-43-18-15-24-47(38-43)49-34-36-62-55(40-49)51-26-9-12-30-59(51)69(62)61-32-14-11-28-53(61)65-54(66-67-57(45-20-5-3-6-21-45)42-58(68-66)46-22-7-4-8-23-46)29-17-33-64(65)70-60-31-13-10-27-52(60)56-41-50(35-37-63(56)70)48-25-16-19-44(2)39-48;1-43-28-32-45(33-29-43)49-36-38-62-55(40-49)51-20-9-12-24-59(51)69(62)61-26-14-11-22-53(61)65-54(66-67-57(47-16-5-3-6-17-47)42-58(68-66)48-18-7-4-8-19-48)23-15-27-64(65)70-60-25-13-10-21-52(60)56-41-50(37-39-63(56)70)46-34-30-44(2)31-35-46;1-43-20-9-11-26-49(43)47-36-38-62-55(40-47)51-28-13-16-32-59(51)69(62)61-34-18-15-30-53(61)65-54(66-67-57(45-22-5-3-6-23-45)42-58(68-66)46-24-7-4-8-25-46)31-19-35-64(65)70-60-33-17-14-29-52(60)56-41-48(37-39-63(56)70)50-27-12-10-21-44(50)2;1-59(2,3)41-32-34-54-47(36-41)43-24-13-16-28-51(43)63(54)53-30-18-15-26-45(53)57-46(58-61-49(39-20-9-7-10-21-39)38-50(62-58)40-22-11-8-12-23-40)27-19-31-56(57)64-52-29-17-14-25-44(52)48-37-42(60(4,5)6)33-35-55(48)64;1-33-20-24-48-41(28-33)43-30-37(55(57,58)59)22-26-50(43)65(48)47-18-10-9-16-39(47)53-40(54-63-45(35-12-5-3-6-13-35)32-46(64-54)36-14-7-4-8-15-36)17-11-19-52(53)66-49-25-21-34(2)29-42(49)44-31-38(56(60,61)62)23-27-51(44)66;1-35-28-30-50-43(32-35)39-20-9-12-24-47(39)57(50)49-26-14-11-22-41(49)53-42(54-55-45(37-16-5-3-6-17-37)34-46(56-54)38-18-7-4-8-19-38)23-15-27-52(53)58-48-25-13-10-21-40(48)44-33-36(2)29-31-51(44)58/h3*3-42H,1-2H3;7-38H,1-6H3;3-32H,1-2H3;3-34H,1-2H3
InChIKeyVJSAYIHBHSGATL-UHFFFAOYSA-N
MW5134.30 g/mol
LogP97.75
Rot. Bonds42

About 3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole

3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole (PubChem CID 161317622) has the molecular formula C368H262F6N24 and a molecular weight of 5134.30 g/mol. Its IUPAC name is 3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
PubChem CID161317622
Molecular FormulaC368H262F6N24
Molecular Weight5134.30 g/mol
Exact Mass5130.11
IUPAC Name3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
SMILESCC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2cc(C(C)(C)C)ccc21.Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cccc2-n2c3ccccc3c3cc(-c4ccc(C)cc4)ccc32)cc1.Cc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccccc1-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cccc1-n1c2ccc(C)cc2c2cc(C(F)(F)F)ccc21.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2cc(C)ccc21.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cccc2-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c1.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2cc(-c3ccccc3C)ccc21
InChIInChI=1S/3C66H46N4.C60H50N4.C56H36F6N4.C54H38N4/c1-43-18-15-24-47(38-43)49-34-36-62-55(40-49)51-26-9-12-30-59(51)69(62)61-32-14-11-28-53(61)65-54(66-67-57(45-20-5-3-6-21-45)42-58(68-66)46-22-7-4-8-23-46)29-17-33-64(65)70-60-31-13-10-27-52(60)56-41-50(35-37-63(56)70)48-25-16-19-44(2)39-48;1-43-28-32-45(33-29-43)49-36-38-62-55(40-49)51-20-9-12-24-59(51)69(62)61-26-14-11-22-53(61)65-54(66-67-57(47-16-5-3-6-17-47)42-58(68-66)48-18-7-4-8-19-48)23-15-27-64(65)70-60-25-13-10-21-52(60)56-41-50(37-39-63(56)70)46-34-30-44(2)31-35-46;1-43-20-9-11-26-49(43)47-36-38-62-55(40-47)51-28-13-16-32-59(51)69(62)61-34-18-15-30-53(61)65-54(66-67-57(45-22-5-3-6-23-45)42-58(68-66)46-24-7-4-8-25-46)31-19-35-64(65)70-60-33-17-14-29-52(60)56-41-48(37-39-63(56)70)50-27-12-10-21-44(50)2;1-59(2,3)41-32-34-54-47(36-41)43-24-13-16-28-51(43)63(54)53-30-18-15-26-45(53)57-46(58-61-49(39-20-9-7-10-21-39)38-50(62-58)40-22-11-8-12-23-40)27-19-31-56(57)64-52-29-17-14-25-44(52)48-37-42(60(4,5)6)33-35-55(48)64;1-33-20-24-48-41(28-33)43-30-37(55(57,58)59)22-26-50(43)65(48)47-18-10-9-16-39(47)53-40(54-63-45(35-12-5-3-6-13-35)32-46(64-54)36-14-7-4-8-15-36)17-11-19-52(53)66-49-25-21-34(2)29-42(49)44-31-38(56(60,61)62)23-27-51(44)66;1-35-28-30-50-43(32-35)39-20-9-12-24-47(39)57(50)49-26-14-11-22-41(49)53-42(54-55-45(37-16-5-3-6-17-37)34-46(56-54)38-18-7-4-8-19-38)23-15-27-52(53)58-48-25-13-10-21-40(48)44-33-36(2)29-31-51(44)58/h3*3-42H,1-2H3;7-38H,1-6H3;3-32H,1-2H3;3-34H,1-2H3
InChIKeyVJSAYIHBHSGATL-UHFFFAOYSA-N
XLogP97.75
TPSA213.84 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds42
Heavy Atoms398
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005134.30
LogP ≤ 597.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole with MolForge

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Related Compounds

9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 155463382
3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155463376
3,6-ditert-butyl-9-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 170672621
9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 155462551
9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]phenyl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-dimethylcarbazole;9-[2-[2-(3,6-diisocyanocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-(trifluoromethyl)carbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[4-(4,6-diphenylpyrimidin-2-yl)-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole
CID 160667861
9-[4-[2-[4-[4-[4-[5-[2-[4-[4-[4-[5-(2-carbazol-9-ylphenyl)-2-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 163526461
9-[3-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(2-methylphenyl)carbazole;9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(3-methylphenyl)carbazole;9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(4-methylphenyl)carbazole
CID 158428672
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(3-methylphenyl)carbazole
CID 138555651
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(3-methylphenyl)carbazole
CID 160846045
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole
CID 138555653
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)carbazole
CID 138555657
9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 160692189

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole?
The IUPAC name of 3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole (CID 161317622) is 3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole.
What is the SMILES notation for 3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole?
The canonical SMILES for 3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole is CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2cc(C(C)(C)C)ccc21.Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cccc2-n2c3ccccc3c3cc(-c4ccc(C)cc4)ccc32)cc1.Cc1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccccc1-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cccc1-n1c2ccc(C)cc2c2cc(C(F)(F)F)ccc21.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2cc(C)ccc21.Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cccc2-n2c3ccccc3c3cc(-c4cccc(C)c4)ccc32)c1.Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2cc(-c3ccccc3C)ccc21.
What is the InChIKey of 3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole?
The InChIKey is VJSAYIHBHSGATL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C66H46N4.C60H50N4.C56H36F6N4.C54H38N4/c1-43-18-15-24-47(38-43)49-34-36-62-55(40-49)51-26-9-12-30-59(51)69(62)61-32-14-11-28-53(61)65-54(66-67-57(45-20-5-3-6-21-45)42-58(68-66)46-22-7-4-8-23-46)29-17-33-64(65)70-60-31-13-10-27-52(60)56-41-50(35-37-63(56)70)48-25-16-19-44(2)39-48;1-43-28-32-45(33-29-43)49-36-38-62-55(40-49)51-20-9-12-24-59(51)69(62)61-26-14-11-22-53(61)65-54(66-67-57(47-16-5-3-6-17-47)42-58(68-66)48-18-7-4-8-19-48)23-15-27-64(65)70-60-25-13-10-21-52(60)56-41-50(37-39-63(56)70)46-34-30-44(2)31-35-46;1-43-20-9-11-26-49(43)47-36-38-62-55(40-47)51-28-13-16-32-59(51)69(62)61-34-18-15-30-53(61)65-54(66-67-57(45-22-5-3-6-23-45)42-58(68-66)46-24-7-4-8-25-46)31-19-35-64(65)70-60-33-17-14-29-52(60)56-41-48(37-39-63(56)70)50-27-12-10-21-44(50)2;1-59(2,3)41-32-34-54-47(36-41)43-24-13-16-28-51(43)63(54)53-30-18-15-26-45(53)57-46(58-61-49(39-20-9-7-10-21-39)38-50(62-58)40-22-11-8-12-23-40)27-19-31-56(57)64-52-29-17-14-25-44(52)48-37-42(60(4,5)6)33-35-55(48)64;1-33-20-24-48-41(28-33)43-30-37(55(57,58)59)22-26-50(43)65(48)47-18-10-9-16-39(47)53-40(54-63-45(35-12-5-3-6-13-35)32-46(64-54)36-14-7-4-8-15-36)17-11-19-52(53)66-49-25-21-34(2)29-42(49)44-31-38(56(60,61)62)23-27-51(44)66;1-35-28-30-50-43(32-35)39-20-9-12-24-47(39)57(50)49-26-14-11-22-41(49)53-42(54-55-45(37-16-5-3-6-17-37)34-46(56-54)38-18-7-4-8-19-38)23-15-27-52(53)58-48-25-13-10-21-40(48)44-33-36(2)29-31-51(44)58/h3*3-42H,1-2H3;7-38H,1-6H3;3-32H,1-2H3;3-34H,1-2H3.
What are the key properties of 3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole?
3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole has a molecular weight of 5134.30 g/mol, XLogP of 97.75, 42 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole is sourced from PubChem (CID 161317622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).