11-[3-[5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-[5-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-[3-[5-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole;12-[3-[2,3-diphenyl-5-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrido[3,4-b]pyrazin-8-yl]phenyl]-5-phenylindolo[3,2-c]carbazole

C286H178N22O2S2 — CID 159250053

IUPAC11-[3-[5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-[5-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-[3-[5-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole;12-[3-[2,3-diphenyl-5-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrido[3,4-b]pyrazin-8-yl]phenyl]-5-phenylindolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc(-c2cnc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4C6(C)C)c3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)c1.c1ccc(-c2nc3c(-c4cccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)c4)cnc(-c4cccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)c4)c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3c(-c4cccc(-n5c6ccccc6c6cc7sc8ccccc8c7cc65)c4)cnc(-c4cccc(-n5c6ccccc6c6cc7sc8ccccc8c7cc65)c4)c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3c(-c4cccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)c4)cnc(-c4cccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)c4)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C79H49N7.C73H51N5.C67H39N5O2.C67H39N5S2/c1-5-23-50(24-6-1)74-75(51-25-7-2-8-26-51)82-77-73(53-28-22-34-57(48-53)86-66-40-18-14-36-59(66)61-44-46-70-72(79(61)86)63-38-16-20-42-68(63)84(70)55-31-11-4-12-32-55)80-49-64(76(77)81-74)52-27-21-33-56(47-52)85-65-39-17-13-35-58(65)60-43-45-69-71(78(60)85)62-37-15-19-41-67(62)83(69)54-29-9-3-10-30-54;1-72(2)59-33-15-11-29-50(59)54-41-65-56(39-61(54)72)52-31-13-17-35-63(52)77(65)48-27-19-25-46(37-48)58-43-74-67(71-70(58)75-68(44-21-7-5-8-22-44)69(76-71)45-23-9-6-10-24-45)47-26-20-28-49(38-47)78-64-36-18-14-32-53(64)57-40-62-55(42-66(57)78)51-30-12-16-34-60(51)73(62,3)4;2*1-3-17-40(18-4-1)64-65(41-19-5-2-6-20-41)70-67-63(43-22-16-24-45(34-43)72-56-30-12-8-26-47(56)51-38-62-53(36-58(51)72)49-28-10-14-32-60(49)74-62)68-39-54(66(67)69-64)42-21-15-23-44(33-42)71-55-29-11-7-25-46(55)50-37-61-52(35-57(50)71)48-27-9-13-31-59(48)73-61/h1-49H;5-43H,1-4H3;2*1-39H
InChIKeyKVEIAUPAWORWOS-UHFFFAOYSA-N
MW4018.86 g/mol
LogP74.89
Rot. Bonds26

About 11-[3-[5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-[5-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-[3-[5-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole;12-[3-[2,3-diphenyl-5-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrido[3,4-b]pyrazin-8-yl]phenyl]-5-phenylindolo[3,2-c]carbazole

11-[3-[5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-[5-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-[3-[5-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole;12-[3-[2,3-diphenyl-5-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrido[3,4-b]pyrazin-8-yl]phenyl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 159250053) has the molecular formula C286H178N22O2S2 and a molecular weight of 4018.86 g/mol. Its IUPAC name is 11-[3-[5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-[5-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-[3-[5-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole;12-[3-[2,3-diphenyl-5-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrido[3,4-b]pyrazin-8-yl]phenyl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name11-[3-[5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-[5-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-[3-[5-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole;12-[3-[2,3-diphenyl-5-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrido[3,4-b]pyrazin-8-yl]phenyl]-5-phenylindolo[3,2-c]carbazole
PubChem CID159250053
Molecular FormulaC286H178N22O2S2
Molecular Weight4018.86 g/mol
Exact Mass4015.39
IUPAC Name11-[3-[5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-[5-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-[3-[5-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole;12-[3-[2,3-diphenyl-5-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrido[3,4-b]pyrazin-8-yl]phenyl]-5-phenylindolo[3,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc(-c2cnc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4C6(C)C)c3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)c1.c1ccc(-c2nc3c(-c4cccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)c4)cnc(-c4cccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)c4)c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3c(-c4cccc(-n5c6ccccc6c6cc7sc8ccccc8c7cc65)c4)cnc(-c4cccc(-n5c6ccccc6c6cc7sc8ccccc8c7cc65)c4)c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3c(-c4cccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)c4)cnc(-c4cccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)c4)c3nc2-c2ccccc2)cc1
InChIInChI=1S/C79H49N7.C73H51N5.C67H39N5O2.C67H39N5S2/c1-5-23-50(24-6-1)74-75(51-25-7-2-8-26-51)82-77-73(53-28-22-34-57(48-53)86-66-40-18-14-36-59(66)61-44-46-70-72(79(61)86)63-38-16-20-42-68(63)84(70)55-31-11-4-12-32-55)80-49-64(76(77)81-74)52-27-21-33-56(47-52)85-65-39-17-13-35-58(65)60-43-45-69-71(78(60)85)62-37-15-19-41-67(62)83(69)54-29-9-3-10-30-54;1-72(2)59-33-15-11-29-50(59)54-41-65-56(39-61(54)72)52-31-13-17-35-63(52)77(65)48-27-19-25-46(37-48)58-43-74-67(71-70(58)75-68(44-21-7-5-8-22-44)69(76-71)45-23-9-6-10-24-45)47-26-20-28-49(38-47)78-64-36-18-14-32-53(64)57-40-62-55(42-66(57)78)51-30-12-16-34-60(51)73(62,3)4;2*1-3-17-40(18-4-1)64-65(41-19-5-2-6-20-41)70-67-63(43-22-16-24-45(34-43)72-56-30-12-8-26-47(56)51-38-62-53(36-58(51)72)49-28-10-14-32-60(49)74-62)68-39-54(66(67)69-64)42-21-15-23-44(33-42)71-55-29-11-7-25-46(55)50-37-61-52(35-57(50)71)48-27-9-13-31-59(48)73-61/h1-49H;5-43H,1-4H3;2*1-39H
InChIKeyKVEIAUPAWORWOS-UHFFFAOYSA-N
XLogP74.89
TPSA230.26 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms312
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004018.86
LogP ≤ 574.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 11-[3-[5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-[5-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-[3-[5-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole;12-[3-[2,3-diphenyl-5-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrido[3,4-b]pyrazin-8-yl]phenyl]-5-phenylindolo[3,2-c]carbazole with MolForge

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Related Compounds

11-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-b]carbazole;11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-b]carbazole;5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-11,11-dimethylindeno[1,2-b]carbazole
CID 161432875
5-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 158901349
11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-b]carbazole;5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole;11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;5-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 157244793
[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane;diphenyl-(9-phenylcarbazol-3-yl)-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]silane
CID 160702748
2-dibenzofuran-2-yl-9-(3-triphenylen-2-ylphenyl)carbazole;2-dibenzothiophen-2-yl-9-(3-triphenylen-2-ylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;3,6-diphenyl-9-(3-triphenylen-2-ylphenyl)carbazole;2-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-triphenylen-2-ylphenyl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(3-triphenylen-2-ylphenyl)carbazole
CID 158234145
9-dibenzofuran-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-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;9-dibenzothiophen-2-yl-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-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;9-(9,9-dimethylfluoren-1-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-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;9-(9,9-dimethylfluoren-2-yl)-14-[3-(3-phenylquinoxalin-2-yl)phenyl]-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
CID 157215131
11-[6-dibenzofuran-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzothiolo[3,2-b]carbazole;5-[6-dibenzofuran-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-12,12-dimethylindeno[1,2-c]carbazole;11-[6-dibenzofuran-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-5-phenylindolo[3,2-b]carbazole;5-[6-dibenzofuran-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-12-phenylindolo[3,2-c]carbazole
CID 161307539
5-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 169014751
9-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]carbazole-3,6-dicarbonitrile;9-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 161369579
[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;(3-carbazol-9-ylphenyl)-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-diphenylsilane;(3-carbazol-9-ylphenyl)-diphenyl-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]silane
CID 163452118
12-dibenzofuran-3-yl-5-(9,9-dimethylfluoren-3-yl)indolo[3,2-c]carbazole;12-dibenzoselenophen-2-yl-5-(9,9-dimethylfluoren-3-yl)indolo[3,2-c]carbazole;12-dibenzothiophen-2-yl-5-(9,9-dimethylfluoren-3-yl)indolo[3,2-c]carbazole;12-dibenzothiophen-3-yl-5-(9,9-dimethylfluoren-3-yl)indolo[3,2-c]carbazole
CID 159717256
5-(4,6-diphenylpyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole;11-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;12-[3,5-di(pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;5-[3,5-di(pyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 162014164

Frequently Asked Questions

What is the IUPAC name of 11-[3-[5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-[5-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-[3-[5-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole;12-[3-[2,3-diphenyl-5-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrido[3,4-b]pyrazin-8-yl]phenyl]-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 11-[3-[5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-[5-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-[3-[5-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole;12-[3-[2,3-diphenyl-5-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrido[3,4-b]pyrazin-8-yl]phenyl]-5-phenylindolo[3,2-c]carbazole (CID 159250053) is 11-[3-[5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-[5-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-[3-[5-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole;12-[3-[2,3-diphenyl-5-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrido[3,4-b]pyrazin-8-yl]phenyl]-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 11-[3-[5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-[5-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-[3-[5-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole;12-[3-[2,3-diphenyl-5-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrido[3,4-b]pyrazin-8-yl]phenyl]-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 11-[3-[5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-[5-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-[3-[5-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole;12-[3-[2,3-diphenyl-5-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrido[3,4-b]pyrazin-8-yl]phenyl]-5-phenylindolo[3,2-c]carbazole is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1cccc(-c2cnc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4C6(C)C)c3)c3nc(-c4ccccc4)c(-c4ccccc4)nc23)c1.c1ccc(-c2nc3c(-c4cccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)c4)cnc(-c4cccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)c4)c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3c(-c4cccc(-n5c6ccccc6c6cc7sc8ccccc8c7cc65)c4)cnc(-c4cccc(-n5c6ccccc6c6cc7sc8ccccc8c7cc65)c4)c3nc2-c2ccccc2)cc1.c1ccc(-c2nc3c(-c4cccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)c4)cnc(-c4cccc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)c4)c3nc2-c2ccccc2)cc1.
What is the InChIKey of 11-[3-[5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-[5-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-[3-[5-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole;12-[3-[2,3-diphenyl-5-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrido[3,4-b]pyrazin-8-yl]phenyl]-5-phenylindolo[3,2-c]carbazole?
The InChIKey is KVEIAUPAWORWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H49N7.C73H51N5.C67H39N5O2.C67H39N5S2/c1-5-23-50(24-6-1)74-75(51-25-7-2-8-26-51)82-77-73(53-28-22-34-57(48-53)86-66-40-18-14-36-59(66)61-44-46-70-72(79(61)86)63-38-16-20-42-68(63)84(70)55-31-11-4-12-32-55)80-49-64(76(77)81-74)52-27-21-33-56(47-52)85-65-39-17-13-35-58(65)60-43-45-69-71(78(60)85)62-37-15-19-41-67(62)83(69)54-29-9-3-10-30-54;1-72(2)59-33-15-11-29-50(59)54-41-65-56(39-61(54)72)52-31-13-17-35-63(52)77(65)48-27-19-25-46(37-48)58-43-74-67(71-70(58)75-68(44-21-7-5-8-22-44)69(76-71)45-23-9-6-10-24-45)47-26-20-28-49(38-47)78-64-36-18-14-32-53(64)57-40-62-55(42-66(57)78)51-30-12-16-34-60(51)73(62,3)4;2*1-3-17-40(18-4-1)64-65(41-19-5-2-6-20-41)70-67-63(43-22-16-24-45(34-43)72-56-30-12-8-26-47(56)51-38-62-53(36-58(51)72)49-28-10-14-32-60(49)74-62)68-39-54(66(67)69-64)42-21-15-23-44(33-42)71-55-29-11-7-25-46(55)50-37-61-52(35-57(50)71)48-27-9-13-31-59(48)73-61/h1-49H;5-43H,1-4H3;2*1-39H.
What are the key properties of 11-[3-[5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-[5-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-[3-[5-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole;12-[3-[2,3-diphenyl-5-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrido[3,4-b]pyrazin-8-yl]phenyl]-5-phenylindolo[3,2-c]carbazole?
11-[3-[5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-[5-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-[3-[5-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole;12-[3-[2,3-diphenyl-5-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrido[3,4-b]pyrazin-8-yl]phenyl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 4018.86 g/mol, XLogP of 74.89, 26 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-[5-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-[5-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole;5-[3-[5-[3-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]-2,3-diphenylpyrido[3,4-b]pyrazin-8-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole;12-[3-[2,3-diphenyl-5-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]pyrido[3,4-b]pyrazin-8-yl]phenyl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 159250053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).