3-[2,8-bis(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;6-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4,12-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;3-[2,8-di(carbazol-9-yl)dibenzothiophen-4-yl]-9-[6-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]carbazole

C328H192N24O6S2 — CID 159845529

IUPAC3-[2,8-bis(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;6-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4,12-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;3-[2,8-di(carbazol-9-yl)dibenzothiophen-4-yl]-9-[6-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]carbazole
SMILESc1cc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c4c3)c3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2ccc3oc4c(-n5c6ccccc6c6cc(-c7cc(-n8c9cccnc9c9ncccc98)nc8c7oc7ccc(-n9c%10cccnc%10c%10ncccc%109)nc78)ccc65)cccc4c3c2)nc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(-c7ccc8c(c7)c7ccccc7n8-c7ccc8oc9c(-n%10c%11ccccc%11c%11ccccc%11%10)cccc9c8c7)cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccc(-n6c7ccccc7c7cc(-c8cc(-n9c%10ccccc%10c%10ccccc%109)cc9c8sc8ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc89)ccc76)cc45)ccc32)cc1
InChIInChI=1S/C88H50N12O2.C84H50N4O2.C78H46N4O2.C78H46N4S2/c1-3-18-57(66-22-7-9-40-89-66)55(16-1)51-30-34-69-63(46-51)64-47-52(56-17-2-4-19-58(56)67-23-8-10-41-90-67)31-35-70(64)97(69)54-33-37-77-65(49-54)60-21-11-25-76(87(60)101-77)98-68-24-6-5-20-59(68)62-48-53(32-36-71(62)98)61-50-80(100-74-28-14-44-93-83(74)84-75(100)29-15-45-94-84)96-86-85-78(102-88(61)86)38-39-79(95-85)99-72-26-12-42-91-81(72)82-73(99)27-13-43-92-82;1-3-18-56(19-4-1)85-72-28-12-9-24-61(72)66-44-51(34-39-77(66)85)52-37-42-81-69(46-52)71-49-55(53-35-40-78-67(45-53)62-25-10-13-29-73(62)86(78)57-20-5-2-6-21-57)48-65(83(71)89-81)54-36-41-79-68(47-54)63-26-11-14-30-74(63)87(79)58-38-43-82-70(50-58)64-27-17-33-80(84(64)90-82)88-75-31-15-7-22-59(75)60-23-8-16-32-76(60)88;1-8-27-66-53(19-1)54-20-2-9-28-67(54)79(66)50-18-15-17-47(41-50)49-43-61(77-65(44-49)64-46-52(37-40-76(64)83-77)80-68-29-10-3-21-55(68)56-22-4-11-30-69(56)80)48-35-38-73-62(42-48)59-25-7-12-31-70(59)81(73)51-36-39-75-63(45-51)60-26-16-34-74(78(60)84-75)82-71-32-13-5-23-57(71)58-24-6-14-33-72(58)82;1-2-17-49(18-3-1)79-71-31-14-8-23-58(71)62-41-47(33-37-73(62)79)53-25-16-26-60-64-43-50(35-39-75(64)83-77(53)60)81-72-32-15-9-24-59(72)63-42-48(34-38-74(63)81)61-45-52(82-69-29-12-6-21-56(69)57-22-7-13-30-70(57)82)46-66-65-44-51(36-40-76(65)84-78(61)66)80-67-27-10-4-19-54(67)55-20-5-11-28-68(55)80/h1-50H;1-50H;2*1-46H
InChIKeyNPGAMKQCMRFNTC-UHFFFAOYSA-N
MW4629.44 g/mol
LogP87.60
Rot. Bonds28

About 3-[2,8-bis(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;6-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4,12-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;3-[2,8-di(carbazol-9-yl)dibenzothiophen-4-yl]-9-[6-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]carbazole

3-[2,8-bis(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;6-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4,12-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;3-[2,8-di(carbazol-9-yl)dibenzothiophen-4-yl]-9-[6-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]carbazole (PubChem CID 159845529) has the molecular formula C328H192N24O6S2 and a molecular weight of 4629.44 g/mol. Its IUPAC name is 3-[2,8-bis(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;6-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4,12-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;3-[2,8-di(carbazol-9-yl)dibenzothiophen-4-yl]-9-[6-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name3-[2,8-bis(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;6-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4,12-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;3-[2,8-di(carbazol-9-yl)dibenzothiophen-4-yl]-9-[6-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]carbazole
PubChem CID159845529
Molecular FormulaC328H192N24O6S2
Molecular Weight4629.44 g/mol
Exact Mass4625.49
IUPAC Name3-[2,8-bis(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;6-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4,12-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;3-[2,8-di(carbazol-9-yl)dibenzothiophen-4-yl]-9-[6-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]carbazole
SMILESc1cc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c4c3)c3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2ccc3oc4c(-n5c6ccccc6c6cc(-c7cc(-n8c9cccnc9c9ncccc98)nc8c7oc7ccc(-n9c%10cccnc%10c%10ncccc%109)nc78)ccc65)cccc4c3c2)nc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(-c7ccc8c(c7)c7ccccc7n8-c7ccc8oc9c(-n%10c%11ccccc%11c%11ccccc%11%10)cccc9c8c7)cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccc(-n6c7ccccc7c7cc(-c8cc(-n9c%10ccccc%10c%10ccccc%109)cc9c8sc8ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc89)ccc76)cc45)ccc32)cc1
InChIInChI=1S/C88H50N12O2.C84H50N4O2.C78H46N4O2.C78H46N4S2/c1-3-18-57(66-22-7-9-40-89-66)55(16-1)51-30-34-69-63(46-51)64-47-52(56-17-2-4-19-58(56)67-23-8-10-41-90-67)31-35-70(64)97(69)54-33-37-77-65(49-54)60-21-11-25-76(87(60)101-77)98-68-24-6-5-20-59(68)62-48-53(32-36-71(62)98)61-50-80(100-74-28-14-44-93-83(74)84-75(100)29-15-45-94-84)96-86-85-78(102-88(61)86)38-39-79(95-85)99-72-26-12-42-91-81(72)82-73(99)27-13-43-92-82;1-3-18-56(19-4-1)85-72-28-12-9-24-61(72)66-44-51(34-39-77(66)85)52-37-42-81-69(46-52)71-49-55(53-35-40-78-67(45-53)62-25-10-13-29-73(62)86(78)57-20-5-2-6-21-57)48-65(83(71)89-81)54-36-41-79-68(47-54)63-26-11-14-30-74(63)87(79)58-38-43-82-70(50-58)64-27-17-33-80(84(64)90-82)88-75-31-15-7-22-59(75)60-23-8-16-32-76(60)88;1-8-27-66-53(19-1)54-20-2-9-28-67(54)79(66)50-18-15-17-47(41-50)49-43-61(77-65(44-49)64-46-52(37-40-76(64)83-77)80-68-29-10-3-21-55(68)56-22-4-11-30-69(56)80)48-35-38-73-62(42-48)59-25-7-12-31-70(59)81(73)51-36-39-75-63(45-51)60-26-16-34-74(78(60)84-75)82-71-32-13-5-23-57(71)58-24-6-14-33-72(58)82;1-2-17-49(18-3-1)79-71-31-14-8-23-58(71)62-41-47(33-37-73(62)79)53-25-16-26-60-64-43-50(35-39-75(64)83-77(53)60)81-72-32-15-9-24-59(72)63-42-48(34-38-74(63)81)61-45-52(82-69-29-12-6-21-56(69)57-22-7-13-30-70(57)82)46-66-65-44-51(36-40-76(65)84-78(61)66)80-67-27-10-4-19-54(67)55-20-5-11-28-68(55)80/h1-50H;1-50H;2*1-46H
InChIKeyNPGAMKQCMRFNTC-UHFFFAOYSA-N
XLogP87.60
TPSA260.84 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms360
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004629.44
LogP ≤ 587.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 3-[2,8-bis(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;6-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4,12-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;3-[2,8-di(carbazol-9-yl)dibenzothiophen-4-yl]-9-[6-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]carbazole with MolForge

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Related Compounds

3-[6-[6-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-pyridinyl]-2-pyridinyl]-9-pyridin-2-ylcarbazole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-4-yl]phenyl]pyrido[3,2-b]indole;5-pyridin-2-yl-8-[8-(2-pyridin-2-ylphenyl)-2-(5-pyridin-2-ylpyrido[4,3-b]indol-8-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole
CID 158925151
9-[8-carbazol-9-yl-2-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-4-yl]-3-dibenzofuran-4-ylcarbazole;3-(2-carbazol-9-yldibenzofuran-4-yl)-9-(8-carbazol-9-yldibenzothiophen-4-yl)carbazole;9-(8-carbazol-9-yldibenzofuran-4-yl)-3-dibenzofuran-2-ylcarbazole;9-(8-carbazol-9-yldibenzofuran-4-yl)-3-dibenzofuran-4-ylcarbazole
CID 160860394
9-(6-carbazol-9-yldibenzofuran-2-yl)-3-(8-carbazol-9-yldibenzofuran-4-yl)carbazole;3-[6-[9-(6-carbazol-9-yldibenzofuran-2-yl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole;9-[4-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole;9-[6-[3-(6-carbazol-9-yldibenzofuran-4-yl)phenyl]dibenzofuran-2-yl]carbazole
CID 159668391
9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;9-[8-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]carbazole;3-carbazol-9-yl-9-dibenzothiophen-4-ylcarbazole;3-carbazol-9-yl-9-(3-dibenzothiophen-4-ylphenyl)carbazole;9-[8-(3-isocyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-(2-pyridin-2-ylphenyl)-9-[3-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 158659848
5-dibenzofuran-2-yl-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;5-dibenzothiophen-2-yl-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;5-phenylpyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzothiophen-2-yl]pyrido[3,2-b]indole;8-(2-pyridin-2-ylphenyl)-5-[3-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]phenyl]pyrido[3,2-b]indole;5-(3-pyrido[3,2-b]indol-5-ylphenyl)pyrido[3,2-b]indole
CID 157173487
3-[9-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 158820483
1,6-di(carbazol-9-yl)-3-[3-(3-carbazol-9-ylcarbazol-9-yl)-5-[3-[2-[9-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzothiophen-4-yl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine
CID 135254970
4-[8-[2-[4,6-dimethyl-8-(2-methyl-5-phenyl-1,3-thiazol-4-yl)dibenzothiophen-2-yl]phenyl]-4,6-dimethyldibenzothiophen-2-yl]-2-methyl-5-phenyl-1,3-thiazole;5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;2-[2-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzofuran-2-yl]phenyl]pyridine
CID 161196430
2-dibenzothiophen-2-yl-6-tetraphenylen-2-yldibenzofuran;2-dibenzothiophen-4-yl-6-tetraphenylen-2-yldibenzofuran;9-phenyl-3-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;9-(6-tetraphenylen-2-yldibenzofuran-2-yl)carbazole;2-tetraphenylen-2-yl-8-triphenylen-2-yldibenzothiophene
CID 158556744
3-(6-dibenzofuran-4-yldibenzofuran-2-yl)-9-phenylcarbazole;3-(8-dibenzofuran-2-yldibenzofuran-4-yl)-9-phenylcarbazole;9-[8-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-2-yl]carbazole;3-[3,5-di(dibenzofuran-2-yl)phenyl]-9-phenylcarbazole;molecular fluorine;3-phenyl-9-[8-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-4-yl]carbazole;hydrofluoride
CID 158528143
3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(4-phenyldibenzothiophen-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 163611477
9-[6-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzofuran-2-yl]carbazole
CID 169011262

Frequently Asked Questions

What is the IUPAC name of 3-[2,8-bis(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;6-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4,12-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;3-[2,8-di(carbazol-9-yl)dibenzothiophen-4-yl]-9-[6-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]carbazole?
The IUPAC name of 3-[2,8-bis(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;6-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4,12-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;3-[2,8-di(carbazol-9-yl)dibenzothiophen-4-yl]-9-[6-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]carbazole (CID 159845529) is 3-[2,8-bis(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;6-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4,12-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;3-[2,8-di(carbazol-9-yl)dibenzothiophen-4-yl]-9-[6-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 3-[2,8-bis(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;6-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4,12-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;3-[2,8-di(carbazol-9-yl)dibenzothiophen-4-yl]-9-[6-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 3-[2,8-bis(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;6-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4,12-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;3-[2,8-di(carbazol-9-yl)dibenzothiophen-4-yl]-9-[6-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]carbazole is c1cc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4oc5c(-n6c7ccccc7c7ccccc76)cccc5c4c3)c3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccn4)ccc2n3-c2ccc3oc4c(-n5c6ccccc6c6cc(-c7cc(-n8c9cccnc9c9ncccc98)nc8c7oc7ccc(-n9c%10cccnc%10c%10ncccc%109)nc78)ccc65)cccc4c3c2)nc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6c(-c7ccc8c(c7)c7ccccc7n8-c7ccc8oc9c(-n%10c%11ccccc%11c%11ccccc%11%10)cccc9c8c7)cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccc(-n6c7ccccc7c7cc(-c8cc(-n9c%10ccccc%10c%10ccccc%109)cc9c8sc8ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc89)ccc76)cc45)ccc32)cc1.
What is the InChIKey of 3-[2,8-bis(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;6-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4,12-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;3-[2,8-di(carbazol-9-yl)dibenzothiophen-4-yl]-9-[6-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]carbazole?
The InChIKey is NPGAMKQCMRFNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H50N12O2.C84H50N4O2.C78H46N4O2.C78H46N4S2/c1-3-18-57(66-22-7-9-40-89-66)55(16-1)51-30-34-69-63(46-51)64-47-52(56-17-2-4-19-58(56)67-23-8-10-41-90-67)31-35-70(64)97(69)54-33-37-77-65(49-54)60-21-11-25-76(87(60)101-77)98-68-24-6-5-20-59(68)62-48-53(32-36-71(62)98)61-50-80(100-74-28-14-44-93-83(74)84-75(100)29-15-45-94-84)96-86-85-78(102-88(61)86)38-39-79(95-85)99-72-26-12-42-91-81(72)82-73(99)27-13-43-92-82;1-3-18-56(19-4-1)85-72-28-12-9-24-61(72)66-44-51(34-39-77(66)85)52-37-42-81-69(46-52)71-49-55(53-35-40-78-67(45-53)62-25-10-13-29-73(62)86(78)57-20-5-2-6-21-57)48-65(83(71)89-81)54-36-41-79-68(47-54)63-26-11-14-30-74(63)87(79)58-38-43-82-70(50-58)64-27-17-33-80(84(64)90-82)88-75-31-15-7-22-59(75)60-23-8-16-32-76(60)88;1-8-27-66-53(19-1)54-20-2-9-28-67(54)79(66)50-18-15-17-47(41-50)49-43-61(77-65(44-49)64-46-52(37-40-76(64)83-77)80-68-29-10-3-21-55(68)56-22-4-11-30-69(56)80)48-35-38-73-62(42-48)59-25-7-12-31-70(59)81(73)51-36-39-75-63(45-51)60-26-16-34-74(78(60)84-75)82-71-32-13-5-23-57(71)58-24-6-14-33-72(58)82;1-2-17-49(18-3-1)79-71-31-14-8-23-58(71)62-41-47(33-37-73(62)79)53-25-16-26-60-64-43-50(35-39-75(64)83-77(53)60)81-72-32-15-9-24-59(72)63-42-48(34-38-74(63)81)61-45-52(82-69-29-12-6-21-56(69)57-22-7-13-30-70(57)82)46-66-65-44-51(36-40-76(65)84-78(61)66)80-67-27-10-4-19-54(67)55-20-5-11-28-68(55)80/h1-50H;1-50H;2*1-46H.
What are the key properties of 3-[2,8-bis(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;6-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4,12-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;3-[2,8-di(carbazol-9-yl)dibenzothiophen-4-yl]-9-[6-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]carbazole?
3-[2,8-bis(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;6-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4,12-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;3-[2,8-di(carbazol-9-yl)dibenzothiophen-4-yl]-9-[6-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]carbazole has a molecular weight of 4629.44 g/mol, XLogP of 87.60, 28 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,8-bis(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;6-[9-[8-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-4-yl]carbazol-3-yl]-4,12-bis(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;3-[8-carbazol-9-yl-2-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]-9-(6-carbazol-9-yldibenzofuran-2-yl)carbazole;3-[2,8-di(carbazol-9-yl)dibenzothiophen-4-yl]-9-[6-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 159845529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).