5-[4-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-7-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7-[4-(9-phenylcarbazol-3-yl)-6-(1-phenyl-2,3-dihydroindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-5-[4-(1,3-diphenyl-3H-indol-1-ium-5-yl)-6-(1,3-diphenylindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole

C245H148N31O2S2+ — CID 157304387

IUPAC5-[4-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-7-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7-[4-(9-phenylcarbazol-3-yl)-6-(1-phenyl-2,3-dihydroindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-5-[4-(1,3-diphenyl-3H-indol-1-ium-5-yl)-6-(1,3-diphenylindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
SMILESC1=[N+](c2ccccc2)c2ccc(-c3nc(-c4ccc5c(c4)c(-c4ccccc4)cn5-c4ccccc4)nc(-n4c5ccccc5c5cc6c7ccccc7n(-c7cccc(-n8c9ccc(-c%10ccccc%10)cc9c9cc(-c%10ccccc%10)ccc98)n7)c6cc54)n3)cc2C1c1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5cc6c7ccccc7n(-c7nc(-c8ccc9oc%10ccccc%10c9c8)nc(-c8ccc9oc%10ccccc%10c9c8)n7)c6cc54)n3)n2)cc1.c1ccc(N2CCc3cc(-c4nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)nc(-n5c6ccccc6c6cc7c8ccccc8n(-c8nc(-c9ccc%10sc%11ccccc%11c%10c9)nc(-c9ccc%10sc%11ccccc%11c%10c9)n8)c7cc65)n4)ccc32)cc1
InChIInChI=1S/C90H58N9.C80H48N10S2.C75H42N12O2/c1-7-24-58(25-8-1)62-42-48-82-70(50-62)71-51-63(59-26-9-2-10-27-59)43-49-83(71)97(82)86-40-23-41-87(91-86)98-80-38-21-19-36-68(80)74-54-75-69-37-20-22-39-81(69)99(85(75)55-84(74)98)90-93-88(64-44-46-78-72(52-64)76(60-28-11-3-12-29-60)56-95(78)66-32-15-5-16-33-66)92-89(94-90)65-45-47-79-73(53-65)77(61-30-13-4-14-31-61)57-96(79)67-34-17-6-18-35-67;1-3-17-52(18-4-1)87-40-39-47-41-48(31-35-64(47)87)75-81-76(49-32-36-68-59(42-49)54-21-7-12-26-65(54)88(68)53-19-5-2-6-20-53)84-79(83-75)89-66-27-13-8-22-55(66)60-45-61-56-23-9-14-28-67(56)90(70(61)46-69(60)89)80-85-77(50-33-37-73-62(43-50)57-24-10-15-29-71(57)91-73)82-78(86-80)51-34-38-74-63(44-51)58-25-11-16-30-72(58)92-74;1-3-19-43(20-4-1)67-76-68(44-21-5-2-6-22-44)79-71(78-67)72-82-74(85-57-29-13-7-23-47(57)48-24-8-14-30-58(48)85)84-75(83-72)87-60-32-16-10-26-50(60)54-41-53-49-25-9-15-31-59(49)86(61(53)42-62(54)87)73-80-69(45-35-37-65-55(39-45)51-27-11-17-33-63(51)88-65)77-70(81-73)46-36-38-66-56(40-46)52-28-12-18-34-64(52)89-66/h1-57,76H;1-38,41-46H,39-40H2;1-42H/q+1;;
InChIKeyBXZXYYZWVVZHTK-UHFFFAOYSA-N
MW3622.23 g/mol
LogP60.00
Rot. Bonds27

About 5-[4-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-7-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7-[4-(9-phenylcarbazol-3-yl)-6-(1-phenyl-2,3-dihydroindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-5-[4-(1,3-diphenyl-3H-indol-1-ium-5-yl)-6-(1,3-diphenylindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole

5-[4-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-7-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7-[4-(9-phenylcarbazol-3-yl)-6-(1-phenyl-2,3-dihydroindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-5-[4-(1,3-diphenyl-3H-indol-1-ium-5-yl)-6-(1,3-diphenylindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole (PubChem CID 157304387) has the molecular formula C245H148N31O2S2+ and a molecular weight of 3622.23 g/mol. Its IUPAC name is 5-[4-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-7-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7-[4-(9-phenylcarbazol-3-yl)-6-(1-phenyl-2,3-dihydroindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-5-[4-(1,3-diphenyl-3H-indol-1-ium-5-yl)-6-(1,3-diphenylindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[4-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-7-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7-[4-(9-phenylcarbazol-3-yl)-6-(1-phenyl-2,3-dihydroindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-5-[4-(1,3-diphenyl-3H-indol-1-ium-5-yl)-6-(1,3-diphenylindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
PubChem CID157304387
Molecular FormulaC245H148N31O2S2+
Molecular Weight3622.23 g/mol
Exact Mass3619.19
IUPAC Name5-[4-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-7-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7-[4-(9-phenylcarbazol-3-yl)-6-(1-phenyl-2,3-dihydroindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-5-[4-(1,3-diphenyl-3H-indol-1-ium-5-yl)-6-(1,3-diphenylindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
SMILESC1=[N+](c2ccccc2)c2ccc(-c3nc(-c4ccc5c(c4)c(-c4ccccc4)cn5-c4ccccc4)nc(-n4c5ccccc5c5cc6c7ccccc7n(-c7cccc(-n8c9ccc(-c%10ccccc%10)cc9c9cc(-c%10ccccc%10)ccc98)n7)c6cc54)n3)cc2C1c1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5cc6c7ccccc7n(-c7nc(-c8ccc9oc%10ccccc%10c9c8)nc(-c8ccc9oc%10ccccc%10c9c8)n7)c6cc54)n3)n2)cc1.c1ccc(N2CCc3cc(-c4nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)nc(-n5c6ccccc6c6cc7c8ccccc8n(-c8nc(-c9ccc%10sc%11ccccc%11c%10c9)nc(-c9ccc%10sc%11ccccc%11c%10c9)n8)c7cc65)n4)ccc32)cc1
InChIInChI=1S/C90H58N9.C80H48N10S2.C75H42N12O2/c1-7-24-58(25-8-1)62-42-48-82-70(50-62)71-51-63(59-26-9-2-10-27-59)43-49-83(71)97(82)86-40-23-41-87(91-86)98-80-38-21-19-36-68(80)74-54-75-69-37-20-22-39-81(69)99(85(75)55-84(74)98)90-93-88(64-44-46-78-72(52-64)76(60-28-11-3-12-29-60)56-95(78)66-32-15-5-16-33-66)92-89(94-90)65-45-47-79-73(53-65)77(61-30-13-4-14-31-61)57-96(79)67-34-17-6-18-35-67;1-3-17-52(18-4-1)87-40-39-47-41-48(31-35-64(47)87)75-81-76(49-32-36-68-59(42-49)54-21-7-12-26-65(54)88(68)53-19-5-2-6-20-53)84-79(83-75)89-66-27-13-8-22-55(66)60-45-61-56-23-9-14-28-67(56)90(70(61)46-69(60)89)80-85-77(50-33-37-73-62(43-50)57-24-10-15-29-71(57)91-73)82-78(86-80)51-34-38-74-63(44-51)58-25-11-16-30-72(58)92-74;1-3-19-43(20-4-1)67-76-68(44-21-5-2-6-22-44)79-71(78-67)72-82-74(85-57-29-13-7-23-47(57)48-24-8-14-30-58(48)85)84-75(83-72)87-60-32-16-10-26-50(60)54-41-53-49-25-9-15-31-59(49)86(61(53)42-62(54)87)73-80-69(45-35-37-65-55(39-45)51-27-11-17-33-63(51)88-65)77-70(81-73)46-36-38-66-56(40-46)52-28-12-18-34-64(52)89-66/h1-57,76H;1-38,41-46H,39-40H2;1-42H/q+1;;
InChIKeyBXZXYYZWVVZHTK-UHFFFAOYSA-N
XLogP60.00
TPSA326.74 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds27
Heavy Atoms280
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003622.23
LogP ≤ 560.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 5-[4-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-7-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7-[4-(9-phenylcarbazol-3-yl)-6-(1-phenyl-2,3-dihydroindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-5-[4-(1,3-diphenyl-3H-indol-1-ium-5-yl)-6-(1,3-diphenylindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole with MolForge

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Related Compounds

2-[6-[4-(4-Tert-butylphenyl)-6-[8-[6-[4-[6-[2-(3-fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-2-yl]-6-phenyldibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]quinazoline
CID 148308671
CID 157743742
CID 157743742
9-[4-[4-(4-Dibenzofuran-2-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)pyrimidin-2-yl]phenyl]carbazole;9-(4-dibenzothiophen-2-yl-6-phenylpyrimidin-2-yl)carbazole;9-(4-dibenzothiophen-4-yl-6-phenylpyrimidin-2-yl)carbazole;8-[4-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 160034025
6-Dibenzothiophen-2-yl-3-isocyano-1,9-diphenylcarbazole;3,9-di(dibenzofuran-2-yl)-6-isocyanocarbazole;3-isocyano-6-(1-phenylbenzimidazol-4-yl)-9-[5-[6-(trifluoromethyl)dibenzothiophen-2-yl]-3-pyridinyl]carbazole
CID 160492128
CID 161814794
CID 161814794
12-Dibenzothiophen-4-yl-23-thia-10-azahexacyclo[12.11.0.02,11.03,8.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene;20-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-18-methyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;17-methyl-20-(9-phenylcarbazol-3-yl)-10-thia-15,18-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;15-methyl-20-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-10-thia-18-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 161901264
2-(5-tert-butyl-2-methylbenzimidazol-1-yl)-N,N-dimethylethanamine;N,N-dimethyl-2-(6-propan-2-yl-1-benzofuran-3-yl)ethanamine;N,N-dimethyl-2-(6-propan-2-yl-1-benzothiophen-3-yl)ethanamine;N,N-dimethyl-1-(7-propan-2-yl-1,3-dihydro-2-benzothiophen-4-yl)piperidin-4-amine;N,N-dimethyl-1-(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-7-yl)piperidin-4-amine;N,N-dimethyl-2-(5-propan-2-ylimidazo[4,5-b]pyridin-1-yl)ethanamine;N,N-dimethyl-2-(5-propan-2-ylindol-1-yl)ethanamine;N,N-dimethyl-2-(5-propan-2-ylpyrrolo[3,2-b]pyridin-1-yl)ethanamine;N,N-dimethyl-2-[5-propan-2-yl-2-(trifluoromethyl)benzimidazol-1-yl]ethanamine
CID 167592122
4-[3-[8-[3-[4,6-Bis(4-phenylpyrimidin-2-yl)-8-(2-pyridin-2-yl-3-pyridinyl)dibenzofuran-2-yl]phenyl]-4b,9b-dihydro-[1]benzothiolo[3,2-b][1]benzothiol-3-yl]phenyl]-8-[2-methyl-3-(2-methyl-3-pyrazin-2-ylphenyl)phenyl]-12-(2-pyrazin-2-yl-3-pyridinyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 57958245
9-[8-[4,6-Di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-4,6-di(propan-2-yl)dibenzothiophen-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole
CID 57958351
8-[3-[8-[6-Dibenzofuran-4-yl-2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]dibenzofuran-2-yl]phenyl]-4-(2-pyridin-2-ylphenyl)-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58058980
3-[3-[3-[8-Dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole
CID 58059158
8-[6-[8-[8-[6-[8-[8-[6-[8-[8-[6-[8-(8-Pyridin-2-ylpyrido[3,2-b]indol-5-yl)-2-pyrimidin-2-yldibenzofuran-4-yl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]-2-pyrimidin-2-yldibenzofuran-4-yl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]-2-pyrimidin-2-yldibenzofuran-4-yl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]-2-pyrimidin-2-yldibenzofuran-4-yl]-2-pyridinyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099830

Frequently Asked Questions

What is the IUPAC name of 5-[4-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-7-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7-[4-(9-phenylcarbazol-3-yl)-6-(1-phenyl-2,3-dihydroindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-5-[4-(1,3-diphenyl-3H-indol-1-ium-5-yl)-6-(1,3-diphenylindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole?
The IUPAC name of 5-[4-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-7-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7-[4-(9-phenylcarbazol-3-yl)-6-(1-phenyl-2,3-dihydroindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-5-[4-(1,3-diphenyl-3H-indol-1-ium-5-yl)-6-(1,3-diphenylindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole (CID 157304387) is 5-[4-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-7-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7-[4-(9-phenylcarbazol-3-yl)-6-(1-phenyl-2,3-dihydroindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-5-[4-(1,3-diphenyl-3H-indol-1-ium-5-yl)-6-(1,3-diphenylindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole.
What is the SMILES notation for 5-[4-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-7-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7-[4-(9-phenylcarbazol-3-yl)-6-(1-phenyl-2,3-dihydroindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-5-[4-(1,3-diphenyl-3H-indol-1-ium-5-yl)-6-(1,3-diphenylindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole?
The canonical SMILES for 5-[4-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-7-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7-[4-(9-phenylcarbazol-3-yl)-6-(1-phenyl-2,3-dihydroindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-5-[4-(1,3-diphenyl-3H-indol-1-ium-5-yl)-6-(1,3-diphenylindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole is C1=[N+](c2ccccc2)c2ccc(-c3nc(-c4ccc5c(c4)c(-c4ccccc4)cn5-c4ccccc4)nc(-n4c5ccccc5c5cc6c7ccccc7n(-c7cccc(-n8c9ccc(-c%10ccccc%10)cc9c9cc(-c%10ccccc%10)ccc98)n7)c6cc54)n3)cc2C1c1ccccc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5cc6c7ccccc7n(-c7nc(-c8ccc9oc%10ccccc%10c9c8)nc(-c8ccc9oc%10ccccc%10c9c8)n7)c6cc54)n3)n2)cc1.c1ccc(N2CCc3cc(-c4nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)nc(-n5c6ccccc6c6cc7c8ccccc8n(-c8nc(-c9ccc%10sc%11ccccc%11c%10c9)nc(-c9ccc%10sc%11ccccc%11c%10c9)n8)c7cc65)n4)ccc32)cc1.
What is the InChIKey of 5-[4-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-7-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7-[4-(9-phenylcarbazol-3-yl)-6-(1-phenyl-2,3-dihydroindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-5-[4-(1,3-diphenyl-3H-indol-1-ium-5-yl)-6-(1,3-diphenylindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole?
The InChIKey is BXZXYYZWVVZHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H58N9.C80H48N10S2.C75H42N12O2/c1-7-24-58(25-8-1)62-42-48-82-70(50-62)71-51-63(59-26-9-2-10-27-59)43-49-83(71)97(82)86-40-23-41-87(91-86)98-80-38-21-19-36-68(80)74-54-75-69-37-20-22-39-81(69)99(85(75)55-84(74)98)90-93-88(64-44-46-78-72(52-64)76(60-28-11-3-12-29-60)56-95(78)66-32-15-5-16-33-66)92-89(94-90)65-45-47-79-73(53-65)77(61-30-13-4-14-31-61)57-96(79)67-34-17-6-18-35-67;1-3-17-52(18-4-1)87-40-39-47-41-48(31-35-64(47)87)75-81-76(49-32-36-68-59(42-49)54-21-7-12-26-65(54)88(68)53-19-5-2-6-20-53)84-79(83-75)89-66-27-13-8-22-55(66)60-45-61-56-23-9-14-28-67(56)90(70(61)46-69(60)89)80-85-77(50-33-37-73-62(43-50)57-24-10-15-29-71(57)91-73)82-78(86-80)51-34-38-74-63(44-51)58-25-11-16-30-72(58)92-74;1-3-19-43(20-4-1)67-76-68(44-21-5-2-6-22-44)79-71(78-67)72-82-74(85-57-29-13-7-23-47(57)48-24-8-14-30-58(48)85)84-75(83-72)87-60-32-16-10-26-50(60)54-41-53-49-25-9-15-31-59(49)86(61(53)42-62(54)87)73-80-69(45-35-37-65-55(39-45)51-27-11-17-33-63(51)88-65)77-70(81-73)46-36-38-66-56(40-46)52-28-12-18-34-64(52)89-66/h1-57,76H;1-38,41-46H,39-40H2;1-42H/q+1;;.
What are the key properties of 5-[4-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-7-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7-[4-(9-phenylcarbazol-3-yl)-6-(1-phenyl-2,3-dihydroindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-5-[4-(1,3-diphenyl-3H-indol-1-ium-5-yl)-6-(1,3-diphenylindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole?
5-[4-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-7-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7-[4-(9-phenylcarbazol-3-yl)-6-(1-phenyl-2,3-dihydroindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-5-[4-(1,3-diphenyl-3H-indol-1-ium-5-yl)-6-(1,3-diphenylindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole has a molecular weight of 3622.23 g/mol, XLogP of 60.00, 27 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-carbazol-9-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-7-[4,6-di(dibenzofuran-2-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-7-[4-(9-phenylcarbazol-3-yl)-6-(1-phenyl-2,3-dihydroindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole;7-[6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-5-[4-(1,3-diphenyl-3H-indol-1-ium-5-yl)-6-(1,3-diphenylindol-5-yl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole is sourced from PubChem (CID 157304387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).