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

C282H181N13OS — CID 157370363

IUPAC3-[3-[6-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzofuran-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzothiophen-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c5nc(-c6cccc(-c7ccc8c(c7)c7cc(-c9cccc(-c%10cnc%11c%12cc(-c%13ccc%14c(c%13)C(C)(C)c%13ccccc%13-%14)ccc%12c%12ccc(-c%13ccc%14c(c%13)C(C)(C)c%13ccccc%13-%14)cc%12c%11n%10)c9)ccc7n8-c7ccccc7)c6)cnc5c4c3)cc21.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nc(-c4cccc(-c5ccc6oc7ccc(-c8cccc(-c9cnc%10c%11ccc(-c%12ccccc%12)cc%11c%11cc(-c%12ccccc%12)ccc%11c%10n9)c8)cc7c6c5)c4)cnc32)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nc(-c4cccc(-c5ccc6sc7ccc(-c8cccc(-c9cnc%10c%11ccc(-c%12ccccc%12)cc%11c%11cc(-c%12ccccc%12)ccc%11c%10n9)c8)cc7c6c5)c4)cnc32)cc1
InChIInChI=1S/C122H85N5.C80H48N4O.C80H48N4S/c1-119(2)103-32-16-12-28-89(103)93-50-40-78(64-107(93)119)72-36-46-85-87-48-38-74(80-42-52-95-91-30-14-18-34-105(91)121(5,6)109(95)66-80)62-101(87)117-115(99(85)60-72)123-68-111(125-117)82-24-20-22-70(56-82)76-44-54-113-97(58-76)98-59-77(45-55-114(98)127(113)84-26-10-9-11-27-84)71-23-21-25-83(57-71)112-69-124-116-100-61-73(79-41-51-94-90-29-13-17-33-104(90)120(3,4)108(94)65-79)37-47-86(100)88-49-39-75(63-102(88)118(116)126-112)81-43-53-96-92-31-15-19-35-106(92)122(7,8)110(96)67-81;2*1-5-15-49(16-6-1)55-27-33-63-67(41-55)69-43-57(51-19-9-3-10-20-51)29-35-65(69)79-77(63)81-47-73(83-79)61-25-13-23-53(39-61)59-31-37-75-71(45-59)72-46-60(32-38-76(72)85-75)54-24-14-26-62(40-54)74-48-82-78-64-34-28-56(50-17-7-2-8-18-50)42-68(64)70-44-58(52-21-11-4-12-22-52)30-36-66(70)80(78)84-74/h9-69H,1-8H3;2*1-48H
InChIKeyBJRNZKGSYSUYKS-UHFFFAOYSA-N
MW3799.71 g/mol
LogP75.15
Rot. Bonds25

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

3-[3-[6-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzofuran-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzothiophen-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine (PubChem CID 157370363) has the molecular formula C282H181N13OS and a molecular weight of 3799.71 g/mol. Its IUPAC name is 3-[3-[6-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzofuran-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzothiophen-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[3-[6-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzofuran-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzothiophen-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine
PubChem CID157370363
Molecular FormulaC282H181N13OS
Molecular Weight3799.71 g/mol
Exact Mass3796.42
IUPAC Name3-[3-[6-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzofuran-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzothiophen-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc4c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c5nc(-c6cccc(-c7ccc8c(c7)c7cc(-c9cccc(-c%10cnc%11c%12cc(-c%13ccc%14c(c%13)C(C)(C)c%13ccccc%13-%14)ccc%12c%12ccc(-c%13ccc%14c(c%13)C(C)(C)c%13ccccc%13-%14)cc%12c%11n%10)c9)ccc7n8-c7ccccc7)c6)cnc5c4c3)cc21.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nc(-c4cccc(-c5ccc6oc7ccc(-c8cccc(-c9cnc%10c%11ccc(-c%12ccccc%12)cc%11c%11cc(-c%12ccccc%12)ccc%11c%10n9)c8)cc7c6c5)c4)cnc32)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nc(-c4cccc(-c5ccc6sc7ccc(-c8cccc(-c9cnc%10c%11ccc(-c%12ccccc%12)cc%11c%11cc(-c%12ccccc%12)ccc%11c%10n9)c8)cc7c6c5)c4)cnc32)cc1
InChIInChI=1S/C122H85N5.C80H48N4O.C80H48N4S/c1-119(2)103-32-16-12-28-89(103)93-50-40-78(64-107(93)119)72-36-46-85-87-48-38-74(80-42-52-95-91-30-14-18-34-105(91)121(5,6)109(95)66-80)62-101(87)117-115(99(85)60-72)123-68-111(125-117)82-24-20-22-70(56-82)76-44-54-113-97(58-76)98-59-77(45-55-114(98)127(113)84-26-10-9-11-27-84)71-23-21-25-83(57-71)112-69-124-116-100-61-73(79-41-51-94-90-29-13-17-33-104(90)120(3,4)108(94)65-79)37-47-86(100)88-49-39-75(63-102(88)118(116)126-112)81-43-53-96-92-31-15-19-35-106(92)122(7,8)110(96)67-81;2*1-5-15-49(16-6-1)55-27-33-63-67(41-55)69-43-57(51-19-9-3-10-20-51)29-35-65(69)79-77(63)81-47-73(83-79)61-25-13-23-53(39-61)59-31-37-75-71(45-59)72-46-60(32-38-76(72)85-75)54-24-14-26-62(40-54)74-48-82-78-64-34-28-56(50-17-7-2-8-18-50)42-68(64)70-44-58(52-21-11-4-12-22-52)30-36-66(70)80(78)84-74/h9-69H,1-8H3;2*1-48H
InChIKeyBJRNZKGSYSUYKS-UHFFFAOYSA-N
XLogP75.15
TPSA172.75 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms297
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003799.71
LogP ≤ 575.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 3-[3-[6-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzofuran-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzothiophen-2-yl]phenyl]-7,10-diphenylphenanthro[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
15-(1-benzothiophen-3-yl)-17-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;15-dibenzofuran-2-yl-20-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;4-(19-methyl-10-oxa-18-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-15-yl)-N,N-diphenylaniline;15-(9-phenylcarbazol-3-yl)-10-oxa-19,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene;12-[9-[4-(trifluoromethyl)phenyl]carbazol-3-yl]-17-oxa-10-azahexacyclo[12.11.0.02,11.04,9.016,24.018,23]pentacosa-1(25),2,4,6,8,10,12,14,16(24),18,20,22-dodecaene
CID 157258443
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
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-[6-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzofuran-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzothiophen-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[3-[6-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzofuran-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzothiophen-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine (CID 157370363) is 3-[3-[6-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzofuran-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzothiophen-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[3-[6-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzofuran-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzothiophen-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[3-[6-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzofuran-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzothiophen-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine is CC1(C)c2ccccc2-c2ccc(-c3ccc4c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c5nc(-c6cccc(-c7ccc8c(c7)c7cc(-c9cccc(-c%10cnc%11c%12cc(-c%13ccc%14c(c%13)C(C)(C)c%13ccccc%13-%14)ccc%12c%12ccc(-c%13ccc%14c(c%13)C(C)(C)c%13ccccc%13-%14)cc%12c%11n%10)c9)ccc7n8-c7ccccc7)c6)cnc5c4c3)cc21.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nc(-c4cccc(-c5ccc6oc7ccc(-c8cccc(-c9cnc%10c%11ccc(-c%12ccccc%12)cc%11c%11cc(-c%12ccccc%12)ccc%11c%10n9)c8)cc7c6c5)c4)cnc32)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nc(-c4cccc(-c5ccc6sc7ccc(-c8cccc(-c9cnc%10c%11ccc(-c%12ccccc%12)cc%11c%11cc(-c%12ccccc%12)ccc%11c%10n9)c8)cc7c6c5)c4)cnc32)cc1.
What is the InChIKey of 3-[3-[6-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzofuran-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzothiophen-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine?
The InChIKey is BJRNZKGSYSUYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H85N5.C80H48N4O.C80H48N4S/c1-119(2)103-32-16-12-28-89(103)93-50-40-78(64-107(93)119)72-36-46-85-87-48-38-74(80-42-52-95-91-30-14-18-34-105(91)121(5,6)109(95)66-80)62-101(87)117-115(99(85)60-72)123-68-111(125-117)82-24-20-22-70(56-82)76-44-54-113-97(58-76)98-59-77(45-55-114(98)127(113)84-26-10-9-11-27-84)71-23-21-25-83(57-71)112-69-124-116-100-61-73(79-41-51-94-90-29-13-17-33-104(90)120(3,4)108(94)65-79)37-47-86(100)88-49-39-75(63-102(88)118(116)126-112)81-43-53-96-92-31-15-19-35-106(92)122(7,8)110(96)67-81;2*1-5-15-49(16-6-1)55-27-33-63-67(41-55)69-43-57(51-19-9-3-10-20-51)29-35-65(69)79-77(63)81-47-73(83-79)61-25-13-23-53(39-61)59-31-37-75-71(45-59)72-46-60(32-38-76(72)85-75)54-24-14-26-62(40-54)74-48-82-78-64-34-28-56(50-17-7-2-8-18-50)42-68(64)70-44-58(52-21-11-4-12-22-52)30-36-66(70)80(78)84-74/h9-69H,1-8H3;2*1-48H.
What are the key properties of 3-[3-[6-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzofuran-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzothiophen-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine?
3-[3-[6-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzofuran-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzothiophen-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine has a molecular weight of 3799.71 g/mol, XLogP of 75.15, 25 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[6-[3-[6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazin-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]-6,11-bis(9,9-dimethylfluoren-2-yl)phenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzofuran-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-[8-[3-(7,10-diphenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]dibenzothiophen-2-yl]phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine is sourced from PubChem (CID 157370363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).