3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzofuran-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[6-[3-[7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine

C354H245N13OS — CID 159047919

IUPAC3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzofuran-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[6-[3-[7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3c3nc(-c5cccc(-c6ccc7c(c6)c6cc(-c8cccc(-c9cnc%10c%11ccc(-c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)cc%11c%11cc(-c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)ccc%11c%10n9)c8)ccc6n7-c6ccccc6)c5)cnc43)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c5nc(-c6cccc(-c7ccc8oc9ccc(-c%10cccc(-c%11cnc%12c%13cc(-c%14ccc%15c(c%14)C(C)(C)c%14ccccc%14-%15)ccc%13c%13ccc(-c%14ccc%15c(c%14)C(C)(C)c%14ccccc%14-%15)cc%13c%12n%11)c%10)cc9c8c7)c6)cnc5c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c5nc(-c6cccc(-c7ccc8sc9ccc(-c%10cccc(-c%11cnc%12c%13cc(-c%14ccc%15c(c%14)C(C)(C)c%14ccccc%14-%15)ccc%13c%13ccc(-c%14ccc%15c(c%14)C(C)(C)c%14ccccc%14-%15)cc%13c%12n%11)c%10)cc9c8c7)c6)cnc5c4c3)cc21
InChIInChI=1S/C122H85N5.C116H80N4O.C116H80N4S/c1-119(2)103-32-16-12-28-85(103)89-46-36-78(64-107(89)119)72-40-50-93-97(58-72)99-60-74(80-38-48-91-87-30-14-18-34-105(87)121(5,6)109(91)66-80)42-52-95(99)117-115(93)123-68-111(125-117)82-24-20-22-70(56-82)76-44-54-113-101(62-76)102-63-77(45-55-114(102)127(113)84-26-10-9-11-27-84)71-23-21-25-83(57-71)112-69-124-116-94-51-41-73(79-37-47-90-86-29-13-17-33-104(86)120(3,4)108(90)65-79)59-98(94)100-61-75(43-53-96(100)118(116)126-112)81-39-49-92-88-31-15-19-35-106(88)122(7,8)110(92)67-81;2*1-113(2)97-27-13-9-23-83(97)87-45-35-73(59-101(87)113)67-31-41-79-81-43-33-69(75-37-47-89-85-25-11-15-29-99(85)115(5,6)103(89)61-75)57-95(81)111-109(93(79)55-67)117-63-105(119-111)77-21-17-19-65(51-77)71-39-49-107-91(53-71)92-54-72(40-50-108(92)121-107)66-20-18-22-78(52-66)106-64-118-110-94-56-68(74-36-46-88-84-24-10-14-28-98(84)114(3,4)102(88)60-74)32-42-80(94)82-44-34-70(58-96(82)112(110)120-106)76-38-48-90-86-26-12-16-30-100(86)116(7,8)104(90)62-76/h9-69H,1-8H3;2*9-64H,1-8H3
InChIKeyJWWSGQYTDHEAMG-UHFFFAOYSA-N
MW4729.01 g/mol
LogP93.61
Rot. Bonds25

About 3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzofuran-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[6-[3-[7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine

3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzofuran-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[6-[3-[7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine (PubChem CID 159047919) has the molecular formula C354H245N13OS and a molecular weight of 4729.01 g/mol. Its IUPAC name is 3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzofuran-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[6-[3-[7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzofuran-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[6-[3-[7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine
PubChem CID159047919
Molecular FormulaC354H245N13OS
Molecular Weight4729.01 g/mol
Exact Mass4724.92
IUPAC Name3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzofuran-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[6-[3-[7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3c3nc(-c5cccc(-c6ccc7c(c6)c6cc(-c8cccc(-c9cnc%10c%11ccc(-c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)cc%11c%11cc(-c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)ccc%11c%10n9)c8)ccc6n7-c6ccccc6)c5)cnc43)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c5nc(-c6cccc(-c7ccc8oc9ccc(-c%10cccc(-c%11cnc%12c%13cc(-c%14ccc%15c(c%14)C(C)(C)c%14ccccc%14-%15)ccc%13c%13ccc(-c%14ccc%15c(c%14)C(C)(C)c%14ccccc%14-%15)cc%13c%12n%11)c%10)cc9c8c7)c6)cnc5c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c5nc(-c6cccc(-c7ccc8sc9ccc(-c%10cccc(-c%11cnc%12c%13cc(-c%14ccc%15c(c%14)C(C)(C)c%14ccccc%14-%15)ccc%13c%13ccc(-c%14ccc%15c(c%14)C(C)(C)c%14ccccc%14-%15)cc%13c%12n%11)c%10)cc9c8c7)c6)cnc5c4c3)cc21
InChIInChI=1S/C122H85N5.C116H80N4O.C116H80N4S/c1-119(2)103-32-16-12-28-85(103)89-46-36-78(64-107(89)119)72-40-50-93-97(58-72)99-60-74(80-38-48-91-87-30-14-18-34-105(87)121(5,6)109(91)66-80)42-52-95(99)117-115(93)123-68-111(125-117)82-24-20-22-70(56-82)76-44-54-113-101(62-76)102-63-77(45-55-114(102)127(113)84-26-10-9-11-27-84)71-23-21-25-83(57-71)112-69-124-116-94-51-41-73(79-37-47-90-86-29-13-17-33-104(86)120(3,4)108(90)65-79)59-98(94)100-61-75(43-53-96(100)118(116)126-112)81-39-49-92-88-31-15-19-35-106(88)122(7,8)110(92)67-81;2*1-113(2)97-27-13-9-23-83(97)87-45-35-73(59-101(87)113)67-31-41-79-81-43-33-69(75-37-47-89-85-25-11-15-29-99(85)115(5,6)103(89)61-75)57-95(81)111-109(93(79)55-67)117-63-105(119-111)77-21-17-19-65(51-77)71-39-49-107-91(53-71)92-54-72(40-50-108(92)121-107)66-20-18-22-78(52-66)106-64-118-110-94-56-68(74-36-46-88-84-24-10-14-28-98(84)114(3,4)102(88)60-74)32-42-80(94)82-44-34-70(58-96(82)112(110)120-106)76-38-48-90-86-26-12-16-30-100(86)116(7,8)104(90)62-76/h9-69H,1-8H3;2*9-64H,1-8H3
InChIKeyJWWSGQYTDHEAMG-UHFFFAOYSA-N
XLogP93.61
TPSA172.75 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms369
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004729.01
LogP ≤ 593.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzofuran-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[6-[3-[7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine with MolForge

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Related Compounds

3-Dibenzofuran-2-yl-8-dibenzothiophen-2-yl-5,6-difluoro-1,10-phenanthroline
CID 123925014
3-dibenzothiophen-2-yl-8-[3-[(1E)-2-[4-(8-dibenzothiophen-4-yl-5,6-difluoro-1,10-phenanthrolin-3-yl)dibenzothiophen-2-yl]buta-1,3-dienyl]-2-methyl-1-benzofuran-5-yl]-5,6-difluoro-1,10-phenanthroline
CID 134446094
1-Bis(9,9-dimethylfluoren-2-yl)phosphoryltriphenylene;1-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene;2-[dibenzofuran-2-yl(triphenylen-1-yl)phosphoryl]dibenzofuran;2-[dibenzothiophen-2-yl(triphenylen-1-yl)phosphoryl]dibenzothiophene;2-[1,10-phenanthrolin-2-yl(triphenylen-1-yl)phosphoryl]-1,10-phenanthroline;9-phenyl-3-[(9-phenylcarbazol-3-yl)-triphenylen-1-ylphosphoryl]carbazole;2-pyridin-2-yl-6-[(2-pyridin-2-yl-4-pyridinyl)-triphenylen-1-ylphosphoryl]pyridine;2-[pyridin-2-yl(triphenylen-1-yl)phosphoryl]pyridine
CID 157288269
2-Bis(9,9-dimethylfluoren-2-yl)phosphoryltriphenylene;2-bis(4-fluorophenyl)phosphoryltriphenylene;2-bis[4-(trifluoromethyl)phenyl]phosphoryltriphenylene;2-[dibenzofuran-2-yl(triphenylen-2-yl)phosphoryl]dibenzofuran;2-[dibenzothiophen-2-yl(triphenylen-2-yl)phosphoryl]dibenzothiophene;diphenyl-sulfanylidene-triphenylen-2-yl-lambda5-phosphane;2-[1,10-phenanthrolin-2-yl(triphenylen-2-yl)phosphoryl]-1,10-phenanthroline;9-phenyl-3-[(9-phenylcarbazol-3-yl)-triphenylen-2-ylphosphoryl]carbazole
CID 157683743
9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine
CID 159039278
20-(4-Methoxyphenyl)-18-methyl-10-oxa-17-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-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;12-(9-phenylcarbazol-2-yl)-23-oxa-4-azahexacyclo[12.11.0.02,11.05,10.016,24.017,22]pentacosa-1(25),2(11),3,5,7,9,12,14,16(24),17,19,21-dodecaene
CID 160627340
9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(10,10-diphenyl-3H-benzo[b][1,4]benzoxasilin-3-id-4-yl)pyridine;pentakis(iridium);2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine
CID 161209666
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
5,10-Bis(4-tert-butylphenyl)-17,19-bis(9,9'-spirobi[fluorene]-4'-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine;5-[2,4-bis(trifluoromethyl)phenyl]-10-[4-methyl-2-(trifluoromethyl)phenyl]-17,19-bis(9-phenylcarbazol-2-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;5,10-ditert-butyl-17,19-bis(9,9-dimethylfluoren-4-yl)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;17,19-di(dibenzothiophen-4-yl)-4,11-bis(2,4,6-trifluorophenoxy)-18-thia-15,21-diazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2(7),3,5,8(13),9,11,14,16,19-decaene;2,3-diphenyl-5,7-bis(9,9'-spirobi[fluorene]-2-yl)thieno[3,4-b]pyrazine
CID 162051928
CID 172988659
CID 172988659
9-[8-[3-(3-Dibenzofuran-2-ylphenyl)phenyl]dibenzothiophen-2-yl]pyrido[3,4-b]indole
CID 57544060
8-(3-Dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544260

Frequently Asked Questions

What is the IUPAC name of 3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzofuran-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[6-[3-[7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzofuran-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[6-[3-[7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine (CID 159047919) is 3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzofuran-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[6-[3-[7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzofuran-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[6-[3-[7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzofuran-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[6-[3-[7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine is CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3c3nc(-c5cccc(-c6ccc7c(c6)c6cc(-c8cccc(-c9cnc%10c%11ccc(-c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)cc%11c%11cc(-c%12ccc%13c(c%12)C(C)(C)c%12ccccc%12-%13)ccc%11c%10n9)c8)ccc6n7-c6ccccc6)c5)cnc43)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c5nc(-c6cccc(-c7ccc8oc9ccc(-c%10cccc(-c%11cnc%12c%13cc(-c%14ccc%15c(c%14)C(C)(C)c%14ccccc%14-%15)ccc%13c%13ccc(-c%14ccc%15c(c%14)C(C)(C)c%14ccccc%14-%15)cc%13c%12n%11)c%10)cc9c8c7)c6)cnc5c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c5nc(-c6cccc(-c7ccc8sc9ccc(-c%10cccc(-c%11cnc%12c%13cc(-c%14ccc%15c(c%14)C(C)(C)c%14ccccc%14-%15)ccc%13c%13ccc(-c%14ccc%15c(c%14)C(C)(C)c%14ccccc%14-%15)cc%13c%12n%11)c%10)cc9c8c7)c6)cnc5c4c3)cc21.
What is the InChIKey of 3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzofuran-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[6-[3-[7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine?
The InChIKey is JWWSGQYTDHEAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H85N5.C116H80N4O.C116H80N4S/c1-119(2)103-32-16-12-28-85(103)89-46-36-78(64-107(89)119)72-40-50-93-97(58-72)99-60-74(80-38-48-91-87-30-14-18-34-105(87)121(5,6)109(91)66-80)42-52-95(99)117-115(93)123-68-111(125-117)82-24-20-22-70(56-82)76-44-54-113-101(62-76)102-63-77(45-55-114(102)127(113)84-26-10-9-11-27-84)71-23-21-25-83(57-71)112-69-124-116-94-51-41-73(79-37-47-90-86-29-13-17-33-104(86)120(3,4)108(90)65-79)59-98(94)100-61-75(43-53-96(100)118(116)126-112)81-39-49-92-88-31-15-19-35-106(88)122(7,8)110(92)67-81;2*1-113(2)97-27-13-9-23-83(97)87-45-35-73(59-101(87)113)67-31-41-79-81-43-33-69(75-37-47-89-85-25-11-15-29-99(85)115(5,6)103(89)61-75)57-95(81)111-109(93(79)55-67)117-63-105(119-111)77-21-17-19-65(51-77)71-39-49-107-91(53-71)92-54-72(40-50-108(92)121-107)66-20-18-22-78(52-66)106-64-118-110-94-56-68(74-36-46-88-84-24-10-14-28-98(84)114(3,4)102(88)60-74)32-42-80(94)82-44-34-70(58-96(82)112(110)120-106)76-38-48-90-86-26-12-16-30-100(86)116(7,8)104(90)62-76/h9-69H,1-8H3;2*9-64H,1-8H3.
What are the key properties of 3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzofuran-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[6-[3-[7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine?
3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzofuran-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[6-[3-[7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine has a molecular weight of 4729.01 g/mol, XLogP of 93.61, 25 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzofuran-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]dibenzothiophen-2-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[6-[3-[7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-7,10-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 159047919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).