12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole

C372H279N31 — CID 160639693

IUPAC12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4c32)cc1.CCCCCCCCc1cccc(-c2cc(-c3cccc(CCCCCCCC)c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)c1.CCc1ccc2c(c1)c1ccc3c4cc(CC)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c1n2-c1ccccc1.Cc1cc2c3ccccc3n(-c3ccccc3)c2c2c1c1ccccc1n2-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.Cc1ccc2c(c1)c1ccc3c4cc(C)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c1n2-c1ccccc1.c1ccc(-c2cc(-n3c4ccc(-c5ccccn5)cc4c4ccc5c6cc(-c7ccccn7)ccc6n(-c6ccccc6)c5c43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)c2ccc4c5cc(-c6ccccc6)ccc5n(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c4c2n3-c2ccccc2)cc1
InChIInChI=1S/C56H58N4.C53H35N3.C51H33N5.2C44H34N4.C42H30N4.C41H28N4.C41H27N3/c1-3-5-7-9-11-14-24-41-26-22-28-43(38-41)50-40-51(44-29-23-27-42(39-44)25-15-12-10-8-6-4-2)58-56(57-50)60-53-35-21-19-33-47(53)49-37-36-48-46-32-18-20-34-52(46)59(54(48)55(49)60)45-30-16-13-17-31-45;1-6-16-36(17-7-1)40-26-30-50-46(32-40)44-28-29-45-47-33-41(37-18-8-2-9-19-37)27-31-51(47)56(53(45)52(44)55(50)42-24-14-5-15-25-42)43-34-48(38-20-10-3-11-21-38)54-49(35-43)39-22-12-4-13-23-39;1-4-14-34(15-5-1)46-32-39(33-47(54-46)35-16-6-2-7-17-35)56-49-27-23-37(45-21-11-13-29-53-45)31-43(49)41-25-24-40-42-30-36(44-20-10-12-28-52-44)22-26-48(42)55(50(40)51(41)56)38-18-8-3-9-19-38;1-44(2,3)31-22-24-32(25-23-31)47-39-20-12-10-18-33(39)35-26-27-36-34-19-11-13-21-40(34)48(42(36)41(35)47)43-45-37(29-14-6-4-7-15-29)28-38(46-43)30-16-8-5-9-17-30;1-3-29-20-24-40-36(26-29)34-22-23-35-37-27-30(4-2)21-25-41(37)48(43(35)42(34)47(40)33-18-12-7-13-19-33)44-45-38(31-14-8-5-9-15-31)28-39(46-44)32-16-10-6-11-17-32;1-27-18-22-38-34(24-27)32-20-21-33-35-25-28(2)19-23-39(35)46(41(33)40(32)45(38)31-16-10-5-11-17-31)42-43-36(29-12-6-3-7-13-29)26-37(44-42)30-14-8-4-9-15-30;1-27-25-33-31-21-11-13-23-36(31)44(30-19-9-4-10-20-30)39(33)40-38(27)32-22-12-14-24-37(32)45(40)41-42-34(28-15-5-2-6-16-28)26-35(43-41)29-17-7-3-8-18-29;1-4-14-28(15-5-1)36-26-31(27-37(42-36)29-16-6-2-7-17-29)44-39-23-13-11-21-33(39)35-25-24-34-32-20-10-12-22-38(32)43(40(34)41(35)44)30-18-8-3-9-19-30/h13,16-23,26-40H,3-12,14-15,24-25H2,1-2H3;1-35H;1-33H;4-28H,1-3H3;5-28H,3-4H2,1-2H3;3-26H,1-2H3;2-26H,1H3;1-27H
InChIKeyRIZYDUSJUMYJPY-UHFFFAOYSA-N
MW5183.54 g/mol
LogP96.46
Rot. Bonds52

About 12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole

12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole (PubChem CID 160639693) has the molecular formula C372H279N31 and a molecular weight of 5183.54 g/mol. Its IUPAC name is 12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole
PubChem CID160639693
Molecular FormulaC372H279N31
Molecular Weight5183.54 g/mol
Exact Mass5179.28
IUPAC Name12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole
SMILESCC(C)(C)c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4c32)cc1.CCCCCCCCc1cccc(-c2cc(-c3cccc(CCCCCCCC)c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)c1.CCc1ccc2c(c1)c1ccc3c4cc(CC)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c1n2-c1ccccc1.Cc1cc2c3ccccc3n(-c3ccccc3)c2c2c1c1ccccc1n2-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.Cc1ccc2c(c1)c1ccc3c4cc(C)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c1n2-c1ccccc1.c1ccc(-c2cc(-n3c4ccc(-c5ccccn5)cc4c4ccc5c6cc(-c7ccccn7)ccc6n(-c6ccccc6)c5c43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)c2ccc4c5cc(-c6ccccc6)ccc5n(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c4c2n3-c2ccccc2)cc1
InChIInChI=1S/C56H58N4.C53H35N3.C51H33N5.2C44H34N4.C42H30N4.C41H28N4.C41H27N3/c1-3-5-7-9-11-14-24-41-26-22-28-43(38-41)50-40-51(44-29-23-27-42(39-44)25-15-12-10-8-6-4-2)58-56(57-50)60-53-35-21-19-33-47(53)49-37-36-48-46-32-18-20-34-52(46)59(54(48)55(49)60)45-30-16-13-17-31-45;1-6-16-36(17-7-1)40-26-30-50-46(32-40)44-28-29-45-47-33-41(37-18-8-2-9-19-37)27-31-51(47)56(53(45)52(44)55(50)42-24-14-5-15-25-42)43-34-48(38-20-10-3-11-21-38)54-49(35-43)39-22-12-4-13-23-39;1-4-14-34(15-5-1)46-32-39(33-47(54-46)35-16-6-2-7-17-35)56-49-27-23-37(45-21-11-13-29-53-45)31-43(49)41-25-24-40-42-30-36(44-20-10-12-28-52-44)22-26-48(42)55(50(40)51(41)56)38-18-8-3-9-19-38;1-44(2,3)31-22-24-32(25-23-31)47-39-20-12-10-18-33(39)35-26-27-36-34-19-11-13-21-40(34)48(42(36)41(35)47)43-45-37(29-14-6-4-7-15-29)28-38(46-43)30-16-8-5-9-17-30;1-3-29-20-24-40-36(26-29)34-22-23-35-37-27-30(4-2)21-25-41(37)48(43(35)42(34)47(40)33-18-12-7-13-19-33)44-45-38(31-14-8-5-9-15-31)28-39(46-44)32-16-10-6-11-17-32;1-27-18-22-38-34(24-27)32-20-21-33-35-25-28(2)19-23-39(35)46(41(33)40(32)45(38)31-16-10-5-11-17-31)42-43-36(29-12-6-3-7-13-29)26-37(44-42)30-14-8-4-9-15-30;1-27-25-33-31-21-11-13-23-36(31)44(30-19-9-4-10-20-30)39(33)40-38(27)32-22-12-14-24-37(32)45(40)41-42-34(28-15-5-2-6-16-28)26-35(43-41)29-17-7-3-8-18-29;1-4-14-28(15-5-1)36-26-31(27-37(42-36)29-16-6-2-7-17-29)44-39-23-13-11-21-33(39)35-25-24-34-32-20-10-12-22-38(32)43(40(34)41(35)44)30-18-8-3-9-19-30/h13,16-23,26-40H,3-12,14-15,24-25H2,1-2H3;1-35H;1-33H;4-28H,1-3H3;5-28H,3-4H2,1-2H3;3-26H,1-2H3;2-26H,1H3;1-27H
InChIKeyRIZYDUSJUMYJPY-UHFFFAOYSA-N
XLogP96.46
TPSA272.23 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds52
Heavy Atoms403
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005183.54
LogP ≤ 596.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole 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

12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole
CID 159013208
12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;11-(3,5-diphenylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole
CID 161054148
12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole;5-[6-[3-methyl-5-(N-phenylanilino)phenyl]-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 161276109
12-[4,6-bis(3-octylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 157107156
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3-(3-phenylphenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-3-(4-phenylphenyl)indolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 160982500
12-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-11-phenylindolo[2,3-a]carbazole;11-(3-carbazol-9-ylphenyl)-12-(2,6-diphenyl-4-pyridinyl)indolo[2,3-a]carbazole;12-[2,6-di(phenanthren-9-yl)-4-pyridinyl]-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole
CID 162258475
12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole
CID 58142375
2-[3,5-bis(4-tert-butylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine;9-[3,5-bis(4-tert-butylphenyl)phenyl]-3,6-dimethylcarbazole;3,6-bis(4-methylphenyl)-9-phenylcarbazole;2-(4-tert-butyl-2,6-dimethylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine;2-(3,5-dihexylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine;2-(4-dodecylphenyl)-4,6-bis(3-methylphenyl)-1,3,5-triazine;2-(4-dodecylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 157249620
12-[4,6-bis(4-ethylphenyl)pyrimidin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 118504640
N-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(3,6-diethylcarbazol-9-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 159264899
12-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole
CID 157204309
2,9-dibutyl-12-phenyl-5-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,9-dibutyl-12-phenyl-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,9-ditert-butyl-12-phenyl-5-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 159409871

Frequently Asked Questions

What is the IUPAC name of 12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole?
The IUPAC name of 12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole (CID 160639693) is 12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole?
The canonical SMILES for 12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole is CC(C)(C)c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4c32)cc1.CCCCCCCCc1cccc(-c2cc(-c3cccc(CCCCCCCC)c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)c1.CCc1ccc2c(c1)c1ccc3c4cc(CC)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c1n2-c1ccccc1.Cc1cc2c3ccccc3n(-c3ccccc3)c2c2c1c1ccccc1n2-c1nc(-c2ccccc2)cc(-c2ccccc2)n1.Cc1ccc2c(c1)c1ccc3c4cc(C)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3c1n2-c1ccccc1.c1ccc(-c2cc(-n3c4ccc(-c5ccccn5)cc4c4ccc5c6cc(-c7ccccn7)ccc6n(-c6ccccc6)c5c43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)c2ccc4c5cc(-c6ccccc6)ccc5n(-c5cc(-c6ccccc6)nc(-c6ccccc6)c5)c4c2n3-c2ccccc2)cc1.
What is the InChIKey of 12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole?
The InChIKey is RIZYDUSJUMYJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H58N4.C53H35N3.C51H33N5.2C44H34N4.C42H30N4.C41H28N4.C41H27N3/c1-3-5-7-9-11-14-24-41-26-22-28-43(38-41)50-40-51(44-29-23-27-42(39-44)25-15-12-10-8-6-4-2)58-56(57-50)60-53-35-21-19-33-47(53)49-37-36-48-46-32-18-20-34-52(46)59(54(48)55(49)60)45-30-16-13-17-31-45;1-6-16-36(17-7-1)40-26-30-50-46(32-40)44-28-29-45-47-33-41(37-18-8-2-9-19-37)27-31-51(47)56(53(45)52(44)55(50)42-24-14-5-15-25-42)43-34-48(38-20-10-3-11-21-38)54-49(35-43)39-22-12-4-13-23-39;1-4-14-34(15-5-1)46-32-39(33-47(54-46)35-16-6-2-7-17-35)56-49-27-23-37(45-21-11-13-29-53-45)31-43(49)41-25-24-40-42-30-36(44-20-10-12-28-52-44)22-26-48(42)55(50(40)51(41)56)38-18-8-3-9-19-38;1-44(2,3)31-22-24-32(25-23-31)47-39-20-12-10-18-33(39)35-26-27-36-34-19-11-13-21-40(34)48(42(36)41(35)47)43-45-37(29-14-6-4-7-15-29)28-38(46-43)30-16-8-5-9-17-30;1-3-29-20-24-40-36(26-29)34-22-23-35-37-27-30(4-2)21-25-41(37)48(43(35)42(34)47(40)33-18-12-7-13-19-33)44-45-38(31-14-8-5-9-15-31)28-39(46-44)32-16-10-6-11-17-32;1-27-18-22-38-34(24-27)32-20-21-33-35-25-28(2)19-23-39(35)46(41(33)40(32)45(38)31-16-10-5-11-17-31)42-43-36(29-12-6-3-7-13-29)26-37(44-42)30-14-8-4-9-15-30;1-27-25-33-31-21-11-13-23-36(31)44(30-19-9-4-10-20-30)39(33)40-38(27)32-22-12-14-24-37(32)45(40)41-42-34(28-15-5-2-6-16-28)26-35(43-41)29-17-7-3-8-18-29;1-4-14-28(15-5-1)36-26-31(27-37(42-36)29-16-6-2-7-17-29)44-39-23-13-11-21-33(39)35-25-24-34-32-20-10-12-22-38(32)43(40(34)41(35)44)30-18-8-3-9-19-30/h13,16-23,26-40H,3-12,14-15,24-25H2,1-2H3;1-35H;1-33H;4-28H,1-3H3;5-28H,3-4H2,1-2H3;3-26H,1-2H3;2-26H,1H3;1-27H.
What are the key properties of 12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole?
12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole has a molecular weight of 5183.54 g/mol, XLogP of 96.46, 52 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4,6-bis(3-octylphenyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-(4-tert-butylphenyl)-12-(4,6-diphenylpyrimidin-2-yl)indolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenyl-3,8-dipyridin-2-ylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-3,8,11-triphenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-diethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-3,8-dimethyl-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-methyl-11-phenylindolo[2,3-a]carbazole is sourced from PubChem (CID 160639693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).