2-[2-(2,6-dimethyl-4-pyridinyl)-3,4,5,6-tetrakis(3-phenylcarbazol-9-yl)phenyl]-1,3-benzothiazole;2-[2-(2,6-diphenylpyrimidin-4-yl)-3,4,5,6-tetrakis(3-methylcarbazol-9-yl)phenyl]-1,3-benzoxazole;2-[2,3,4,5-tetrakis(3-methylcarbazol-9-yl)-6-pyridin-4-ylphenyl]-1,3-benzoxazole

C243H163N19O2S — CID 158834810

IUPAC2-[2-(2,6-dimethyl-4-pyridinyl)-3,4,5,6-tetrakis(3-phenylcarbazol-9-yl)phenyl]-1,3-benzothiazole;2-[2-(2,6-diphenylpyrimidin-4-yl)-3,4,5,6-tetrakis(3-methylcarbazol-9-yl)phenyl]-1,3-benzoxazole;2-[2,3,4,5-tetrakis(3-methylcarbazol-9-yl)-6-pyridin-4-ylphenyl]-1,3-benzoxazole
SMILESCc1cc(-c2c(-c3nc4ccccc4s3)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc(C)n1.Cc1ccc2c(c1)c1ccccc1n2-c1c(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2nc3ccccc3o2)c(-n2c3ccccc3c3cc(C)ccc32)c(-n2c3ccccc3c3cc(C)ccc32)c1-n1c2ccccc2c2cc(C)ccc21.Cc1ccc2c(c1)c1ccccc1n2-c1c(-c2ccncc2)c(-c2nc3ccccc3o2)c(-n2c3ccccc3c3cc(C)ccc32)c(-n2c3ccccc3c3cc(C)ccc32)c1-n1c2ccccc2c2cc(C)ccc21
InChIInChI=1S/C92H60N6S.C81H55N7O.C70H48N6O/c1-57-51-67(52-58(2)93-57)86-87(92-94-76-37-19-24-42-85(76)99-92)89(96-78-39-21-16-34-69(78)73-54-64(44-48-82(73)96)60-27-9-4-10-28-60)91(98-80-41-23-18-36-71(80)75-56-66(46-50-84(75)98)62-31-13-6-14-32-62)90(97-79-40-22-17-35-70(79)74-55-65(45-49-83(74)97)61-29-11-5-12-30-61)88(86)95-77-38-20-15-33-68(77)72-53-63(43-47-81(72)95)59-25-7-3-8-26-59;1-48-35-39-69-58(43-48)54-25-11-16-30-65(54)85(69)76-74(64-47-63(52-21-7-5-8-22-52)82-80(83-64)53-23-9-6-10-24-53)75(81-84-62-29-15-20-34-73(62)89-81)77(86-66-31-17-12-26-55(66)59-44-49(2)36-40-70(59)86)79(88-68-33-19-14-28-57(68)61-46-51(4)38-42-72(61)88)78(76)87-67-32-18-13-27-56(67)60-45-50(3)37-41-71(60)87;1-41-25-29-59-50(37-41)46-15-5-10-20-55(46)73(59)66-64(45-33-35-71-36-34-45)65(70-72-54-19-9-14-24-63(54)77-70)67(74-56-21-11-6-16-47(56)51-38-42(2)26-30-60(51)74)69(76-58-23-13-8-18-49(58)53-40-44(4)28-32-62(53)76)68(66)75-57-22-12-7-17-48(57)52-39-43(3)27-31-61(52)75/h3-56H,1-2H3;5-47H,1-4H3;5-40H,1-4H3
InChIKeyIXMPQQNZOHRQKU-UHFFFAOYSA-N
MW3413.17 g/mol
LogP63.79
Rot. Bonds24

About 2-[2-(2,6-dimethyl-4-pyridinyl)-3,4,5,6-tetrakis(3-phenylcarbazol-9-yl)phenyl]-1,3-benzothiazole;2-[2-(2,6-diphenylpyrimidin-4-yl)-3,4,5,6-tetrakis(3-methylcarbazol-9-yl)phenyl]-1,3-benzoxazole;2-[2,3,4,5-tetrakis(3-methylcarbazol-9-yl)-6-pyridin-4-ylphenyl]-1,3-benzoxazole

2-[2-(2,6-dimethyl-4-pyridinyl)-3,4,5,6-tetrakis(3-phenylcarbazol-9-yl)phenyl]-1,3-benzothiazole;2-[2-(2,6-diphenylpyrimidin-4-yl)-3,4,5,6-tetrakis(3-methylcarbazol-9-yl)phenyl]-1,3-benzoxazole;2-[2,3,4,5-tetrakis(3-methylcarbazol-9-yl)-6-pyridin-4-ylphenyl]-1,3-benzoxazole (PubChem CID 158834810) has the molecular formula C243H163N19O2S and a molecular weight of 3413.17 g/mol. Its IUPAC name is 2-[2-(2,6-dimethyl-4-pyridinyl)-3,4,5,6-tetrakis(3-phenylcarbazol-9-yl)phenyl]-1,3-benzothiazole;2-[2-(2,6-diphenylpyrimidin-4-yl)-3,4,5,6-tetrakis(3-methylcarbazol-9-yl)phenyl]-1,3-benzoxazole;2-[2,3,4,5-tetrakis(3-methylcarbazol-9-yl)-6-pyridin-4-ylphenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-(2,6-dimethyl-4-pyridinyl)-3,4,5,6-tetrakis(3-phenylcarbazol-9-yl)phenyl]-1,3-benzothiazole;2-[2-(2,6-diphenylpyrimidin-4-yl)-3,4,5,6-tetrakis(3-methylcarbazol-9-yl)phenyl]-1,3-benzoxazole;2-[2,3,4,5-tetrakis(3-methylcarbazol-9-yl)-6-pyridin-4-ylphenyl]-1,3-benzoxazole
PubChem CID158834810
Molecular FormulaC243H163N19O2S
Molecular Weight3413.17 g/mol
Exact Mass3410.30
IUPAC Name2-[2-(2,6-dimethyl-4-pyridinyl)-3,4,5,6-tetrakis(3-phenylcarbazol-9-yl)phenyl]-1,3-benzothiazole;2-[2-(2,6-diphenylpyrimidin-4-yl)-3,4,5,6-tetrakis(3-methylcarbazol-9-yl)phenyl]-1,3-benzoxazole;2-[2,3,4,5-tetrakis(3-methylcarbazol-9-yl)-6-pyridin-4-ylphenyl]-1,3-benzoxazole
SMILESCc1cc(-c2c(-c3nc4ccccc4s3)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc(C)n1.Cc1ccc2c(c1)c1ccccc1n2-c1c(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2nc3ccccc3o2)c(-n2c3ccccc3c3cc(C)ccc32)c(-n2c3ccccc3c3cc(C)ccc32)c1-n1c2ccccc2c2cc(C)ccc21.Cc1ccc2c(c1)c1ccccc1n2-c1c(-c2ccncc2)c(-c2nc3ccccc3o2)c(-n2c3ccccc3c3cc(C)ccc32)c(-n2c3ccccc3c3cc(C)ccc32)c1-n1c2ccccc2c2cc(C)ccc21
InChIInChI=1S/C92H60N6S.C81H55N7O.C70H48N6O/c1-57-51-67(52-58(2)93-57)86-87(92-94-76-37-19-24-42-85(76)99-92)89(96-78-39-21-16-34-69(78)73-54-64(44-48-82(73)96)60-27-9-4-10-28-60)91(98-80-41-23-18-36-71(80)75-56-66(46-50-84(75)98)62-31-13-6-14-32-62)90(97-79-40-22-17-35-70(79)74-55-65(45-49-83(74)97)61-29-11-5-12-30-61)88(86)95-77-38-20-15-33-68(77)72-53-63(43-47-81(72)95)59-25-7-3-8-26-59;1-48-35-39-69-58(43-48)54-25-11-16-30-65(54)85(69)76-74(64-47-63(52-21-7-5-8-22-52)82-80(83-64)53-23-9-6-10-24-53)75(81-84-62-29-15-20-34-73(62)89-81)77(86-66-31-17-12-26-55(66)59-44-49(2)36-40-70(59)86)79(88-68-33-19-14-28-57(68)61-46-51(4)38-42-72(61)88)78(76)87-67-32-18-13-27-56(67)60-45-50(3)37-41-71(60)87;1-41-25-29-59-50(37-41)46-15-5-10-20-55(46)73(59)66-64(45-33-35-71-36-34-45)65(70-72-54-19-9-14-24-63(54)77-70)67(74-56-21-11-6-16-47(56)51-38-42(2)26-30-60(51)74)69(76-58-23-13-8-18-49(58)53-40-44(4)28-32-62(53)76)68(66)75-57-22-12-7-17-48(57)52-39-43(3)27-31-61(52)75/h3-56H,1-2H3;5-47H,1-4H3;5-40H,1-4H3
InChIKeyIXMPQQNZOHRQKU-UHFFFAOYSA-N
XLogP63.79
TPSA175.67 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms265
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003413.17
LogP ≤ 563.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2-[2-(2,6-dimethyl-4-pyridinyl)-3,4,5,6-tetrakis(3-phenylcarbazol-9-yl)phenyl]-1,3-benzothiazole;2-[2-(2,6-diphenylpyrimidin-4-yl)-3,4,5,6-tetrakis(3-methylcarbazol-9-yl)phenyl]-1,3-benzoxazole;2-[2,3,4,5-tetrakis(3-methylcarbazol-9-yl)-6-pyridin-4-ylphenyl]-1,3-benzoxazole 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

N-[2-[1-[4-[[2-[[3-[[4-[4-[5-(3-acetamidophenyl)-1,3-thiazol-2-yl]pyridine-2-carbonyl]piperazin-1-yl]-(2-methyltetrazol-5-yl)methyl]phenyl]methyl]tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-2-(trifluoromethyl)imidazol-4-yl]-1,3-benzoxazol-5-yl]acetamide
CID 156111374
2-[3-(10b,10c-Dihydropyren-4-yl)-5-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]phenyl]-1,3-benzoxazole;2-[3-benzo[h]quinolin-5-yl-5-[3-[5-(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]phenyl]-1,3-benzothiazole;2-[3-[4-[3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-quinolin-5-ylphenyl]-1,3-benzoxazole
CID 157966551
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;3-methylquinoline;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;2,2,2-trifluoro-1-(3-methylphenyl)ethanone
CID 158821818
6-[2-(Benzimidazol-1-yl)ethyl]-5-phenylindolo[2,3-b]indole;9-[8-(2-dibenzofuran-2-ylethyl)dibenzofuran-4-yl]carbazole-3-carbonitrile;9,9-dimethyl-10-[2-[3-(2,2,3,3-tetrafluoropropyl)carbazol-9-yl]ethyl]acridine;3-[5-[2-(18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-9-yl)ethyl]-3-pyridinyl]benzonitrile;2-[2-(5-phenylindolo[2,3-b]carbazol-7-yl)ethyl]-1,3-benzothiazole;9-phenyl-14-[2-(1-phenylbenzimidazol-2-yl)ethyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-phenyl-6-(2-pyrimidin-5-ylethyl)indolo[2,3-b]indole;12-phenyl-5-(pyrimidin-5-yloxymethyl)indolo[3,2-c]carbazole
CID 159195948
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 160449291
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160592384
1-(1,1-Difluoroethyl)-3-methyl-5-(trifluoromethyl)benzene;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1-benzothiophene;2,6-dimethyl-1,3-benzoxazole;3,7-dimethylimidazo[4,5-f]benzimidazole;2,3-dimethyl-1,10-phenanthroline;10-methylacridin-9-one;4-methylbenzene-1,2-dicarbonitrile;4-methyl-[1]benzothiolo[2,3-b]pyridine;9-methylcarbazole;4-methyldibenzothiophene;6-methyl-2-phenyl-1,3-benzoxazole;1-(4-methylphenyl)ethanone;9-methylpyrido[2,3-b]indole;8-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 160688113
2-(1-benzothiophen-2-yl)pyridine;2-[3,5-bis(trifluoromethyl)phenyl]pyridine;2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorophenyl)-4-methoxypyridine;2-(2,4-difluorophenyl)pyridine;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160694799
Heptakis(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;octakis(iridium);2-phenyl-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;1-phenyl-2-phenylbenzimidazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;4-phenylpyrimidine
CID 160721412
2,5-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]benzonitrile;2-(5-methylindolo[3,2-c]carbazol-12-yl)-4-[2-methyl-6-(trifluoromethyl)phenyl]-5-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(2-pyrimidin-2-ylcarbazol-9-yl)benzonitrile;4-[2-methyl-6-(trifluoromethyl)phenyl]-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 160830901
(3aS)-3a-hydroxy-6,7-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-6,7-dimethyl-1-quinazolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-3a-hydroxy-1-quinolin-6-yl-6-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(9S)-9-hydroxy-5-methyl-12-quinolin-6-yl-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-8-one
CID 160916672
(3aS)-3a-hydroxy-6,7-dimethyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-1-(1,3-benzothiazol-6-yl)-3a-hydroxy-6-(trifluoromethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(3aS)-6-fluoro-3a-hydroxy-7-methyl-1-quinolin-6-yl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one;(9S)-5-ethyl-9-hydroxy-12-quinolin-6-yl-4-thia-2,12-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5-trien-8-one
CID 160933359

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethyl-4-pyridinyl)-3,4,5,6-tetrakis(3-phenylcarbazol-9-yl)phenyl]-1,3-benzothiazole;2-[2-(2,6-diphenylpyrimidin-4-yl)-3,4,5,6-tetrakis(3-methylcarbazol-9-yl)phenyl]-1,3-benzoxazole;2-[2,3,4,5-tetrakis(3-methylcarbazol-9-yl)-6-pyridin-4-ylphenyl]-1,3-benzoxazole?
The IUPAC name of 2-[2-(2,6-dimethyl-4-pyridinyl)-3,4,5,6-tetrakis(3-phenylcarbazol-9-yl)phenyl]-1,3-benzothiazole;2-[2-(2,6-diphenylpyrimidin-4-yl)-3,4,5,6-tetrakis(3-methylcarbazol-9-yl)phenyl]-1,3-benzoxazole;2-[2,3,4,5-tetrakis(3-methylcarbazol-9-yl)-6-pyridin-4-ylphenyl]-1,3-benzoxazole (CID 158834810) is 2-[2-(2,6-dimethyl-4-pyridinyl)-3,4,5,6-tetrakis(3-phenylcarbazol-9-yl)phenyl]-1,3-benzothiazole;2-[2-(2,6-diphenylpyrimidin-4-yl)-3,4,5,6-tetrakis(3-methylcarbazol-9-yl)phenyl]-1,3-benzoxazole;2-[2,3,4,5-tetrakis(3-methylcarbazol-9-yl)-6-pyridin-4-ylphenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[2-(2,6-dimethyl-4-pyridinyl)-3,4,5,6-tetrakis(3-phenylcarbazol-9-yl)phenyl]-1,3-benzothiazole;2-[2-(2,6-diphenylpyrimidin-4-yl)-3,4,5,6-tetrakis(3-methylcarbazol-9-yl)phenyl]-1,3-benzoxazole;2-[2,3,4,5-tetrakis(3-methylcarbazol-9-yl)-6-pyridin-4-ylphenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[2-(2,6-dimethyl-4-pyridinyl)-3,4,5,6-tetrakis(3-phenylcarbazol-9-yl)phenyl]-1,3-benzothiazole;2-[2-(2,6-diphenylpyrimidin-4-yl)-3,4,5,6-tetrakis(3-methylcarbazol-9-yl)phenyl]-1,3-benzoxazole;2-[2,3,4,5-tetrakis(3-methylcarbazol-9-yl)-6-pyridin-4-ylphenyl]-1,3-benzoxazole is Cc1cc(-c2c(-c3nc4ccccc4s3)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2-n2c3ccccc3c3cc(-c4ccccc4)ccc32)cc(C)n1.Cc1ccc2c(c1)c1ccccc1n2-c1c(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2nc3ccccc3o2)c(-n2c3ccccc3c3cc(C)ccc32)c(-n2c3ccccc3c3cc(C)ccc32)c1-n1c2ccccc2c2cc(C)ccc21.Cc1ccc2c(c1)c1ccccc1n2-c1c(-c2ccncc2)c(-c2nc3ccccc3o2)c(-n2c3ccccc3c3cc(C)ccc32)c(-n2c3ccccc3c3cc(C)ccc32)c1-n1c2ccccc2c2cc(C)ccc21.
What is the InChIKey of 2-[2-(2,6-dimethyl-4-pyridinyl)-3,4,5,6-tetrakis(3-phenylcarbazol-9-yl)phenyl]-1,3-benzothiazole;2-[2-(2,6-diphenylpyrimidin-4-yl)-3,4,5,6-tetrakis(3-methylcarbazol-9-yl)phenyl]-1,3-benzoxazole;2-[2,3,4,5-tetrakis(3-methylcarbazol-9-yl)-6-pyridin-4-ylphenyl]-1,3-benzoxazole?
The InChIKey is IXMPQQNZOHRQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H60N6S.C81H55N7O.C70H48N6O/c1-57-51-67(52-58(2)93-57)86-87(92-94-76-37-19-24-42-85(76)99-92)89(96-78-39-21-16-34-69(78)73-54-64(44-48-82(73)96)60-27-9-4-10-28-60)91(98-80-41-23-18-36-71(80)75-56-66(46-50-84(75)98)62-31-13-6-14-32-62)90(97-79-40-22-17-35-70(79)74-55-65(45-49-83(74)97)61-29-11-5-12-30-61)88(86)95-77-38-20-15-33-68(77)72-53-63(43-47-81(72)95)59-25-7-3-8-26-59;1-48-35-39-69-58(43-48)54-25-11-16-30-65(54)85(69)76-74(64-47-63(52-21-7-5-8-22-52)82-80(83-64)53-23-9-6-10-24-53)75(81-84-62-29-15-20-34-73(62)89-81)77(86-66-31-17-12-26-55(66)59-44-49(2)36-40-70(59)86)79(88-68-33-19-14-28-57(68)61-46-51(4)38-42-72(61)88)78(76)87-67-32-18-13-27-56(67)60-45-50(3)37-41-71(60)87;1-41-25-29-59-50(37-41)46-15-5-10-20-55(46)73(59)66-64(45-33-35-71-36-34-45)65(70-72-54-19-9-14-24-63(54)77-70)67(74-56-21-11-6-16-47(56)51-38-42(2)26-30-60(51)74)69(76-58-23-13-8-18-49(58)53-40-44(4)28-32-62(53)76)68(66)75-57-22-12-7-17-48(57)52-39-43(3)27-31-61(52)75/h3-56H,1-2H3;5-47H,1-4H3;5-40H,1-4H3.
What are the key properties of 2-[2-(2,6-dimethyl-4-pyridinyl)-3,4,5,6-tetrakis(3-phenylcarbazol-9-yl)phenyl]-1,3-benzothiazole;2-[2-(2,6-diphenylpyrimidin-4-yl)-3,4,5,6-tetrakis(3-methylcarbazol-9-yl)phenyl]-1,3-benzoxazole;2-[2,3,4,5-tetrakis(3-methylcarbazol-9-yl)-6-pyridin-4-ylphenyl]-1,3-benzoxazole?
2-[2-(2,6-dimethyl-4-pyridinyl)-3,4,5,6-tetrakis(3-phenylcarbazol-9-yl)phenyl]-1,3-benzothiazole;2-[2-(2,6-diphenylpyrimidin-4-yl)-3,4,5,6-tetrakis(3-methylcarbazol-9-yl)phenyl]-1,3-benzoxazole;2-[2,3,4,5-tetrakis(3-methylcarbazol-9-yl)-6-pyridin-4-ylphenyl]-1,3-benzoxazole has a molecular weight of 3413.17 g/mol, XLogP of 63.79, 24 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethyl-4-pyridinyl)-3,4,5,6-tetrakis(3-phenylcarbazol-9-yl)phenyl]-1,3-benzothiazole;2-[2-(2,6-diphenylpyrimidin-4-yl)-3,4,5,6-tetrakis(3-methylcarbazol-9-yl)phenyl]-1,3-benzoxazole;2-[2,3,4,5-tetrakis(3-methylcarbazol-9-yl)-6-pyridin-4-ylphenyl]-1,3-benzoxazole is sourced from PubChem (CID 158834810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).