9-[7-[7-[6,7-bis[3-(2,4,6-trimethyl-3-pyridinyl)phenyl]-9H-carbazol-3-yl]naphthalen-2-yl]naphthalen-2-yl]-1,2,3,6,7,8-hexamethyl-4-[3-(4-methylpyrimidin-5-yl)phenyl]-5-[3-(2,4,6-trimethylpyrimidin-5-yl)phenyl]carbazole;2-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-9-[3-[9-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;4-[6-[6-[12-(2-pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2,4,6-tripyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C276H192N26O2S2Si2 — CID 157122505

IUPAC9-[7-[7-[6,7-bis[3-(2,4,6-trimethyl-3-pyridinyl)phenyl]-9H-carbazol-3-yl]naphthalen-2-yl]naphthalen-2-yl]-1,2,3,6,7,8-hexamethyl-4-[3-(4-methylpyrimidin-5-yl)phenyl]-5-[3-(2,4,6-trimethylpyrimidin-5-yl)phenyl]carbazole;2-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-9-[3-[9-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;4-[6-[6-[12-(2-pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2,4,6-tripyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESCc1cc(C)c(-c2cccc(-c3cc4[nH]c5ccc(-c6ccc7ccc(-c8ccc9ccc(-n%10c%11c(C)c(C)c(C)c(-c%12cccc(-c%13cncnc%13C)c%12)c%11c%11c(-c%12cccc(-c%13c(C)nc(C)nc%13C)c%12)c(C)c(C)c(C)c%11%10)cc9c8)cc7c6)cc5c4cc3-c3cccc(-c4c(C)cc(C)nc4C)c3)c2)c(C)n1.Cc1ccc2c(c1)-c1cc(-c3ccc4ccc5ccc(-c6cccc(-c7ccc8ccc9ccc(-c%10ccc%11c(c%10)-c%10cc(C)ccc%10[Si]%11(c%10cccc(-c%11ccccn%11)c%10)c%10cccc(-c%11ccccn%11)c%10)nc9c8n7)c6)nc5c4n3)ccc1[Si]2(c1cccc(-c2ccccn2)c1)c1cccc(-c2ccccn2)c1.c1ccc(-c2ccc3sc4ncc(-c5cccc6c5oc5c(-c7cccc8c7oc7c(-c9cnc%10sc%11ncc(-c%12c(-c%13ccncc%13)cc(-c%13ccncc%13)cc%12-c%12ccncc%12)cc%11c%10n9)cccc78)cccc56)nc4c3n2)c(-c2ccncc2)c1
InChIInChI=1S/C102H86N8.C100H66N8Si2.C74H40N10O2S2/c1-54-39-56(3)105-65(12)94(54)79-24-17-21-76(44-79)87-50-90-89-49-75(36-38-92(89)109-93(90)51-88(87)77-22-18-25-80(45-77)95-55(2)40-57(4)106-66(95)13)74-34-30-70-29-32-72(41-84(70)42-74)73-33-31-71-35-37-86(48-85(71)43-73)110-101-62(9)58(5)60(7)96(81-26-19-23-78(46-81)91-52-103-53-104-64(91)11)99(101)100-97(61(8)59(6)63(10)102(100)110)82-27-20-28-83(47-82)98-67(14)107-69(16)108-68(98)15;1-63-30-46-93-81(54-63)83-61-75(40-48-95(83)109(93,77-22-12-18-71(57-77)85-26-3-7-50-101-85)78-23-13-19-72(58-78)86-27-4-8-51-102-86)91-44-38-67-34-32-65-36-42-89(105-97(65)99(67)107-91)69-16-11-17-70(56-69)90-43-37-66-33-35-68-39-45-92(108-100(68)98(66)106-90)76-41-49-96-84(62-76)82-55-64(2)31-47-94(82)110(96,79-24-14-20-73(59-79)87-28-5-9-52-103-87)80-25-15-21-74(60-80)88-29-6-10-53-104-88;1-2-8-48(47(7-1)42-21-29-76-30-22-42)60-17-18-63-66(82-60)67-74(87-63)81-40-62(84-67)56-16-6-14-54-52-12-4-10-50(69(52)86-71(54)56)49-9-3-11-51-53-13-5-15-55(70(53)85-68(49)51)61-39-80-73-65(83-61)59-37-46(38-79-72(59)88-73)64-57(43-23-31-77-32-24-43)35-45(41-19-27-75-28-20-41)36-58(64)44-25-33-78-34-26-44/h17-53,109H,1-16H3;3-62H,1-2H3;1-40H
InChIKeyAIDGXHLWJSDPKK-UHFFFAOYSA-N
MW4025.06 g/mol
LogP64.00
Rot. Bonds32

About 9-[7-[7-[6,7-bis[3-(2,4,6-trimethyl-3-pyridinyl)phenyl]-9H-carbazol-3-yl]naphthalen-2-yl]naphthalen-2-yl]-1,2,3,6,7,8-hexamethyl-4-[3-(4-methylpyrimidin-5-yl)phenyl]-5-[3-(2,4,6-trimethylpyrimidin-5-yl)phenyl]carbazole;2-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-9-[3-[9-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;4-[6-[6-[12-(2-pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2,4,6-tripyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

9-[7-[7-[6,7-bis[3-(2,4,6-trimethyl-3-pyridinyl)phenyl]-9H-carbazol-3-yl]naphthalen-2-yl]naphthalen-2-yl]-1,2,3,6,7,8-hexamethyl-4-[3-(4-methylpyrimidin-5-yl)phenyl]-5-[3-(2,4,6-trimethylpyrimidin-5-yl)phenyl]carbazole;2-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-9-[3-[9-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;4-[6-[6-[12-(2-pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2,4,6-tripyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 157122505) has the molecular formula C276H192N26O2S2Si2 and a molecular weight of 4025.06 g/mol. Its IUPAC name is 9-[7-[7-[6,7-bis[3-(2,4,6-trimethyl-3-pyridinyl)phenyl]-9H-carbazol-3-yl]naphthalen-2-yl]naphthalen-2-yl]-1,2,3,6,7,8-hexamethyl-4-[3-(4-methylpyrimidin-5-yl)phenyl]-5-[3-(2,4,6-trimethylpyrimidin-5-yl)phenyl]carbazole;2-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-9-[3-[9-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;4-[6-[6-[12-(2-pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2,4,6-tripyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name9-[7-[7-[6,7-bis[3-(2,4,6-trimethyl-3-pyridinyl)phenyl]-9H-carbazol-3-yl]naphthalen-2-yl]naphthalen-2-yl]-1,2,3,6,7,8-hexamethyl-4-[3-(4-methylpyrimidin-5-yl)phenyl]-5-[3-(2,4,6-trimethylpyrimidin-5-yl)phenyl]carbazole;2-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-9-[3-[9-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;4-[6-[6-[12-(2-pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2,4,6-tripyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID157122505
Molecular FormulaC276H192N26O2S2Si2
Molecular Weight4025.06 g/mol
Exact Mass4021.47
IUPAC Name9-[7-[7-[6,7-bis[3-(2,4,6-trimethyl-3-pyridinyl)phenyl]-9H-carbazol-3-yl]naphthalen-2-yl]naphthalen-2-yl]-1,2,3,6,7,8-hexamethyl-4-[3-(4-methylpyrimidin-5-yl)phenyl]-5-[3-(2,4,6-trimethylpyrimidin-5-yl)phenyl]carbazole;2-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-9-[3-[9-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;4-[6-[6-[12-(2-pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2,4,6-tripyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESCc1cc(C)c(-c2cccc(-c3cc4[nH]c5ccc(-c6ccc7ccc(-c8ccc9ccc(-n%10c%11c(C)c(C)c(C)c(-c%12cccc(-c%13cncnc%13C)c%12)c%11c%11c(-c%12cccc(-c%13c(C)nc(C)nc%13C)c%12)c(C)c(C)c(C)c%11%10)cc9c8)cc7c6)cc5c4cc3-c3cccc(-c4c(C)cc(C)nc4C)c3)c2)c(C)n1.Cc1ccc2c(c1)-c1cc(-c3ccc4ccc5ccc(-c6cccc(-c7ccc8ccc9ccc(-c%10ccc%11c(c%10)-c%10cc(C)ccc%10[Si]%11(c%10cccc(-c%11ccccn%11)c%10)c%10cccc(-c%11ccccn%11)c%10)nc9c8n7)c6)nc5c4n3)ccc1[Si]2(c1cccc(-c2ccccn2)c1)c1cccc(-c2ccccn2)c1.c1ccc(-c2ccc3sc4ncc(-c5cccc6c5oc5c(-c7cccc8c7oc7c(-c9cnc%10sc%11ncc(-c%12c(-c%13ccncc%13)cc(-c%13ccncc%13)cc%12-c%12ccncc%12)cc%11c%10n9)cccc78)cccc56)nc4c3n2)c(-c2ccncc2)c1
InChIInChI=1S/C102H86N8.C100H66N8Si2.C74H40N10O2S2/c1-54-39-56(3)105-65(12)94(54)79-24-17-21-76(44-79)87-50-90-89-49-75(36-38-92(89)109-93(90)51-88(87)77-22-18-25-80(45-77)95-55(2)40-57(4)106-66(95)13)74-34-30-70-29-32-72(41-84(70)42-74)73-33-31-71-35-37-86(48-85(71)43-73)110-101-62(9)58(5)60(7)96(81-26-19-23-78(46-81)91-52-103-53-104-64(91)11)99(101)100-97(61(8)59(6)63(10)102(100)110)82-27-20-28-83(47-82)98-67(14)107-69(16)108-68(98)15;1-63-30-46-93-81(54-63)83-61-75(40-48-95(83)109(93,77-22-12-18-71(57-77)85-26-3-7-50-101-85)78-23-13-19-72(58-78)86-27-4-8-51-102-86)91-44-38-67-34-32-65-36-42-89(105-97(65)99(67)107-91)69-16-11-17-70(56-69)90-43-37-66-33-35-68-39-45-92(108-100(68)98(66)106-90)76-41-49-96-84(62-76)82-55-64(2)31-47-94(82)110(96,79-24-14-20-73(59-79)87-28-5-9-52-103-87)80-25-15-21-74(60-80)88-29-6-10-53-104-88;1-2-8-48(47(7-1)42-21-29-76-30-22-42)60-17-18-63-66(82-60)67-74(87-63)81-40-62(84-67)56-16-6-14-54-52-12-4-10-50(69(52)86-71(54)56)49-9-3-11-51-53-13-5-15-55(70(53)85-68(49)51)61-39-80-73-65(83-61)59-37-46(38-79-72(59)88-73)64-57(43-23-31-77-32-24-43)35-45(41-19-27-75-28-20-41)36-58(64)44-25-33-78-34-26-44/h17-53,109H,1-16H3;3-62H,1-2H3;1-40H
InChIKeyAIDGXHLWJSDPKK-UHFFFAOYSA-N
XLogP64.00
TPSA356.36 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds32
Heavy Atoms308
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004025.06
LogP ≤ 564.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze 9-[7-[7-[6,7-bis[3-(2,4,6-trimethyl-3-pyridinyl)phenyl]-9H-carbazol-3-yl]naphthalen-2-yl]naphthalen-2-yl]-1,2,3,6,7,8-hexamethyl-4-[3-(4-methylpyrimidin-5-yl)phenyl]-5-[3-(2,4,6-trimethylpyrimidin-5-yl)phenyl]carbazole;2-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-9-[3-[9-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;4-[6-[6-[12-(2-pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2,4,6-tripyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[7-[7-[6,7-bis[3-(2,4,6-trimethyl-3-pyridinyl)phenyl]-9H-carbazol-3-yl]naphthalen-2-yl]naphthalen-2-yl]-1,2,3,6,7,8-hexamethyl-4-[3-(4-methylpyrimidin-5-yl)phenyl]-5-[3-(2,4,6-trimethylpyrimidin-5-yl)phenyl]carbazole;2-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-9-[3-[9-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;4-[6-[6-[12-(2-pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2,4,6-tripyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 9-[7-[7-[6,7-bis[3-(2,4,6-trimethyl-3-pyridinyl)phenyl]-9H-carbazol-3-yl]naphthalen-2-yl]naphthalen-2-yl]-1,2,3,6,7,8-hexamethyl-4-[3-(4-methylpyrimidin-5-yl)phenyl]-5-[3-(2,4,6-trimethylpyrimidin-5-yl)phenyl]carbazole;2-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-9-[3-[9-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;4-[6-[6-[12-(2-pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2,4,6-tripyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 157122505) is 9-[7-[7-[6,7-bis[3-(2,4,6-trimethyl-3-pyridinyl)phenyl]-9H-carbazol-3-yl]naphthalen-2-yl]naphthalen-2-yl]-1,2,3,6,7,8-hexamethyl-4-[3-(4-methylpyrimidin-5-yl)phenyl]-5-[3-(2,4,6-trimethylpyrimidin-5-yl)phenyl]carbazole;2-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-9-[3-[9-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;4-[6-[6-[12-(2-pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2,4,6-tripyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 9-[7-[7-[6,7-bis[3-(2,4,6-trimethyl-3-pyridinyl)phenyl]-9H-carbazol-3-yl]naphthalen-2-yl]naphthalen-2-yl]-1,2,3,6,7,8-hexamethyl-4-[3-(4-methylpyrimidin-5-yl)phenyl]-5-[3-(2,4,6-trimethylpyrimidin-5-yl)phenyl]carbazole;2-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-9-[3-[9-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;4-[6-[6-[12-(2-pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2,4,6-tripyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 9-[7-[7-[6,7-bis[3-(2,4,6-trimethyl-3-pyridinyl)phenyl]-9H-carbazol-3-yl]naphthalen-2-yl]naphthalen-2-yl]-1,2,3,6,7,8-hexamethyl-4-[3-(4-methylpyrimidin-5-yl)phenyl]-5-[3-(2,4,6-trimethylpyrimidin-5-yl)phenyl]carbazole;2-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-9-[3-[9-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;4-[6-[6-[12-(2-pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2,4,6-tripyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is Cc1cc(C)c(-c2cccc(-c3cc4[nH]c5ccc(-c6ccc7ccc(-c8ccc9ccc(-n%10c%11c(C)c(C)c(C)c(-c%12cccc(-c%13cncnc%13C)c%12)c%11c%11c(-c%12cccc(-c%13c(C)nc(C)nc%13C)c%12)c(C)c(C)c(C)c%11%10)cc9c8)cc7c6)cc5c4cc3-c3cccc(-c4c(C)cc(C)nc4C)c3)c2)c(C)n1.Cc1ccc2c(c1)-c1cc(-c3ccc4ccc5ccc(-c6cccc(-c7ccc8ccc9ccc(-c%10ccc%11c(c%10)-c%10cc(C)ccc%10[Si]%11(c%10cccc(-c%11ccccn%11)c%10)c%10cccc(-c%11ccccn%11)c%10)nc9c8n7)c6)nc5c4n3)ccc1[Si]2(c1cccc(-c2ccccn2)c1)c1cccc(-c2ccccn2)c1.c1ccc(-c2ccc3sc4ncc(-c5cccc6c5oc5c(-c7cccc8c7oc7c(-c9cnc%10sc%11ncc(-c%12c(-c%13ccncc%13)cc(-c%13ccncc%13)cc%12-c%12ccncc%12)cc%11c%10n9)cccc78)cccc56)nc4c3n2)c(-c2ccncc2)c1.
What is the InChIKey of 9-[7-[7-[6,7-bis[3-(2,4,6-trimethyl-3-pyridinyl)phenyl]-9H-carbazol-3-yl]naphthalen-2-yl]naphthalen-2-yl]-1,2,3,6,7,8-hexamethyl-4-[3-(4-methylpyrimidin-5-yl)phenyl]-5-[3-(2,4,6-trimethylpyrimidin-5-yl)phenyl]carbazole;2-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-9-[3-[9-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;4-[6-[6-[12-(2-pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2,4,6-tripyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is AIDGXHLWJSDPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H86N8.C100H66N8Si2.C74H40N10O2S2/c1-54-39-56(3)105-65(12)94(54)79-24-17-21-76(44-79)87-50-90-89-49-75(36-38-92(89)109-93(90)51-88(87)77-22-18-25-80(45-77)95-55(2)40-57(4)106-66(95)13)74-34-30-70-29-32-72(41-84(70)42-74)73-33-31-71-35-37-86(48-85(71)43-73)110-101-62(9)58(5)60(7)96(81-26-19-23-78(46-81)91-52-103-53-104-64(91)11)99(101)100-97(61(8)59(6)63(10)102(100)110)82-27-20-28-83(47-82)98-67(14)107-69(16)108-68(98)15;1-63-30-46-93-81(54-63)83-61-75(40-48-95(83)109(93,77-22-12-18-71(57-77)85-26-3-7-50-101-85)78-23-13-19-72(58-78)86-27-4-8-51-102-86)91-44-38-67-34-32-65-36-42-89(105-97(65)99(67)107-91)69-16-11-17-70(56-69)90-43-37-66-33-35-68-39-45-92(108-100(68)98(66)106-90)76-41-49-96-84(62-76)82-55-64(2)31-47-94(82)110(96,79-24-14-20-73(59-79)87-28-5-9-52-103-87)80-25-15-21-74(60-80)88-29-6-10-53-104-88;1-2-8-48(47(7-1)42-21-29-76-30-22-42)60-17-18-63-66(82-60)67-74(87-63)81-40-62(84-67)56-16-6-14-54-52-12-4-10-50(69(52)86-71(54)56)49-9-3-11-51-53-13-5-15-55(70(53)85-68(49)51)61-39-80-73-65(83-61)59-37-46(38-79-72(59)88-73)64-57(43-23-31-77-32-24-43)35-45(41-19-27-75-28-20-41)36-58(64)44-25-33-78-34-26-44/h17-53,109H,1-16H3;3-62H,1-2H3;1-40H.
What are the key properties of 9-[7-[7-[6,7-bis[3-(2,4,6-trimethyl-3-pyridinyl)phenyl]-9H-carbazol-3-yl]naphthalen-2-yl]naphthalen-2-yl]-1,2,3,6,7,8-hexamethyl-4-[3-(4-methylpyrimidin-5-yl)phenyl]-5-[3-(2,4,6-trimethylpyrimidin-5-yl)phenyl]carbazole;2-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-9-[3-[9-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;4-[6-[6-[12-(2-pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2,4,6-tripyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
9-[7-[7-[6,7-bis[3-(2,4,6-trimethyl-3-pyridinyl)phenyl]-9H-carbazol-3-yl]naphthalen-2-yl]naphthalen-2-yl]-1,2,3,6,7,8-hexamethyl-4-[3-(4-methylpyrimidin-5-yl)phenyl]-5-[3-(2,4,6-trimethylpyrimidin-5-yl)phenyl]carbazole;2-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-9-[3-[9-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;4-[6-[6-[12-(2-pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2,4,6-tripyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 4025.06 g/mol, XLogP of 64.00, 32 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-[7-[6,7-bis[3-(2,4,6-trimethyl-3-pyridinyl)phenyl]-9H-carbazol-3-yl]naphthalen-2-yl]naphthalen-2-yl]-1,2,3,6,7,8-hexamethyl-4-[3-(4-methylpyrimidin-5-yl)phenyl]-5-[3-(2,4,6-trimethylpyrimidin-5-yl)phenyl]carbazole;2-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-9-[3-[9-[8-methyl-5,5-bis(3-pyridin-2-ylphenyl)benzo[b][1]benzosilol-2-yl]-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;4-[6-[6-[12-(2-pyridin-4-ylphenyl)-8-thia-3,6,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]dibenzofuran-4-yl]dibenzofuran-4-yl]-12-(2,4,6-tripyridin-4-ylphenyl)-8-thia-3,6,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 157122505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).