9-[6-[27-(6-carbazol-9-yldibenzofuran-4-yl)-20,20-dimethyl-13-nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaenyl]dibenzofuran-4-yl]carbazole;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(8-carbazol-9-yldibenzothiophen-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(3-dibenzothiophen-2-ylphenyl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;9-[8-[27-(3-dibenzothiophen-2-ylphenyl)-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl]dibenzothiophen-2-yl]carbazole

C327H186N8O2S7 — CID 160528177

IUPAC9-[6-[27-(6-carbazol-9-yldibenzofuran-4-yl)-20,20-dimethyl-13-nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaenyl]dibenzofuran-4-yl]carbazole;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(8-carbazol-9-yldibenzothiophen-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(3-dibenzothiophen-2-ylphenyl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;9-[8-[27-(3-dibenzothiophen-2-ylphenyl)-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl]dibenzothiophen-2-yl]carbazole
SMILESCC1(C)c2cc3c4ccc(-c5cccc6c5oc5c(-n7c8ccccc8c8ccccc87)cccc56)cc4c4ccccc4c3cc2-c2cc3c4ccccc4c4cc(-c5cccc6c5oc5c(-n7c8ccccc8c8ccccc87)cccc56)ccc4c3cc21.c1cc(-c2ccc3c(c2)c2ccccc2c2cc4c5cc6c7ccccc7c7ccccc7c6cc5n(-c5ccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)c4cc32)c2sc3c(-n4c5ccccc5c5ccccc54)cccc3c2c1.c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccc3c(c2)c2ccccc2c2cc4c(cc32)sc2cc3c5ccc(-c6ccc7sc8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8c7c6)cc5c5ccccc5c3cc24)c1.c1cc(-c2ccc3sc4ccccc4c3c2)cc(-n2c3cc4c5ccccc5c5ccccc5c4cc3c3cc4c5ccccc5c5cc(-c6cccc7c6sc6c(-n8c9ccccc9c9ccccc98)cccc67)ccc5c4cc32)c1
InChIInChI=1S/C87H52N2O2.C84H47N3S2.C78H44N2S2.C78H43NS3/c1-87(2)75-47-71-57-41-39-49(51-27-15-29-63-65-31-17-37-81(85(65)90-83(51)63)88-77-33-11-7-23-59(77)60-24-8-12-34-78(60)88)43-67(57)53-19-3-5-21-55(53)69(71)45-73(75)74-46-70-56-22-6-4-20-54(56)68-44-50(40-42-58(68)72(70)48-76(74)87)52-28-16-30-64-66-32-18-38-82(86(66)91-84(52)64)89-79-35-13-9-25-61(79)62-26-10-14-36-80(62)89;1-3-19-54-52(17-1)53-18-2-4-20-55(53)68-46-79-70(44-66(54)68)71-45-67-57-22-6-5-21-56(57)65-41-48(51-27-15-28-63-64-29-16-34-78(84(64)89-83(51)63)87-76-32-13-9-25-61(76)62-26-10-14-33-77(62)87)35-38-58(65)69(67)47-80(71)86(79)50-37-40-82-73(43-50)72-42-49(36-39-81(72)88-82)85-74-30-11-7-23-59(74)60-24-8-12-31-75(60)85;1-3-20-52-50(18-1)51-19-2-4-21-53(51)65-43-73-67(41-63(52)65)68-42-64-55-23-6-5-22-54(55)62-40-47(49-27-14-28-60-61-29-15-32-72(78(61)82-77(49)60)80-70-30-10-7-24-57(70)58-25-8-11-31-71(58)80)34-36-56(62)66(64)44-74(68)79(73)48-17-13-16-45(38-48)46-35-37-76-69(39-46)59-26-9-12-33-75(59)81-76;1-3-16-53-51(14-1)60-35-46(44-12-11-13-45(34-44)48-26-31-74-66(37-48)59-20-7-10-23-73(59)80-74)24-29-55(60)64-42-77-69(40-62(53)64)70-41-63-54-17-4-2-15-52(54)61-36-47(25-30-56(61)65(63)43-78(70)82-77)49-27-32-75-67(38-49)68-39-50(28-33-76(68)81-75)79-71-21-8-5-18-57(71)58-19-6-9-22-72(58)79/h3-48H,1-2H3;1-47H;1-44H;1-43H
InChIKeyQVELFBWXEQUULI-UHFFFAOYSA-N
MW4483.61 g/mol
LogP95.22
Rot. Bonds16

About 9-[6-[27-(6-carbazol-9-yldibenzofuran-4-yl)-20,20-dimethyl-13-nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaenyl]dibenzofuran-4-yl]carbazole;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(8-carbazol-9-yldibenzothiophen-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(3-dibenzothiophen-2-ylphenyl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;9-[8-[27-(3-dibenzothiophen-2-ylphenyl)-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl]dibenzothiophen-2-yl]carbazole

9-[6-[27-(6-carbazol-9-yldibenzofuran-4-yl)-20,20-dimethyl-13-nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaenyl]dibenzofuran-4-yl]carbazole;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(8-carbazol-9-yldibenzothiophen-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(3-dibenzothiophen-2-ylphenyl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;9-[8-[27-(3-dibenzothiophen-2-ylphenyl)-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl]dibenzothiophen-2-yl]carbazole (PubChem CID 160528177) has the molecular formula C327H186N8O2S7 and a molecular weight of 4483.61 g/mol. Its IUPAC name is 9-[6-[27-(6-carbazol-9-yldibenzofuran-4-yl)-20,20-dimethyl-13-nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaenyl]dibenzofuran-4-yl]carbazole;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(8-carbazol-9-yldibenzothiophen-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(3-dibenzothiophen-2-ylphenyl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;9-[8-[27-(3-dibenzothiophen-2-ylphenyl)-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl]dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-[6-[27-(6-carbazol-9-yldibenzofuran-4-yl)-20,20-dimethyl-13-nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaenyl]dibenzofuran-4-yl]carbazole;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(8-carbazol-9-yldibenzothiophen-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(3-dibenzothiophen-2-ylphenyl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;9-[8-[27-(3-dibenzothiophen-2-ylphenyl)-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl]dibenzothiophen-2-yl]carbazole
PubChem CID160528177
Molecular FormulaC327H186N8O2S7
Molecular Weight4483.61 g/mol
Exact Mass4479.27
IUPAC Name9-[6-[27-(6-carbazol-9-yldibenzofuran-4-yl)-20,20-dimethyl-13-nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaenyl]dibenzofuran-4-yl]carbazole;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(8-carbazol-9-yldibenzothiophen-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(3-dibenzothiophen-2-ylphenyl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;9-[8-[27-(3-dibenzothiophen-2-ylphenyl)-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl]dibenzothiophen-2-yl]carbazole
SMILESCC1(C)c2cc3c4ccc(-c5cccc6c5oc5c(-n7c8ccccc8c8ccccc87)cccc56)cc4c4ccccc4c3cc2-c2cc3c4ccccc4c4cc(-c5cccc6c5oc5c(-n7c8ccccc8c8ccccc87)cccc56)ccc4c3cc21.c1cc(-c2ccc3c(c2)c2ccccc2c2cc4c5cc6c7ccccc7c7ccccc7c6cc5n(-c5ccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)c4cc32)c2sc3c(-n4c5ccccc5c5ccccc54)cccc3c2c1.c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccc3c(c2)c2ccccc2c2cc4c(cc32)sc2cc3c5ccc(-c6ccc7sc8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8c7c6)cc5c5ccccc5c3cc24)c1.c1cc(-c2ccc3sc4ccccc4c3c2)cc(-n2c3cc4c5ccccc5c5ccccc5c4cc3c3cc4c5ccccc5c5cc(-c6cccc7c6sc6c(-n8c9ccccc9c9ccccc98)cccc67)ccc5c4cc32)c1
InChIInChI=1S/C87H52N2O2.C84H47N3S2.C78H44N2S2.C78H43NS3/c1-87(2)75-47-71-57-41-39-49(51-27-15-29-63-65-31-17-37-81(85(65)90-83(51)63)88-77-33-11-7-23-59(77)60-24-8-12-34-78(60)88)43-67(57)53-19-3-5-21-55(53)69(71)45-73(75)74-46-70-56-22-6-4-20-54(56)68-44-50(40-42-58(68)72(70)48-76(74)87)52-28-16-30-64-66-32-18-38-82(86(66)91-84(52)64)89-79-35-13-9-25-61(79)62-26-10-14-36-80(62)89;1-3-19-54-52(17-1)53-18-2-4-20-55(53)68-46-79-70(44-66(54)68)71-45-67-57-22-6-5-21-56(57)65-41-48(51-27-15-28-63-64-29-16-34-78(84(64)89-83(51)63)87-76-32-13-9-25-61(76)62-26-10-14-33-77(62)87)35-38-58(65)69(67)47-80(71)86(79)50-37-40-82-73(43-50)72-42-49(36-39-81(72)88-82)85-74-30-11-7-23-59(74)60-24-8-12-31-75(60)85;1-3-20-52-50(18-1)51-19-2-4-21-53(51)65-43-73-67(41-63(52)65)68-42-64-55-23-6-5-22-54(55)62-40-47(49-27-14-28-60-61-29-15-32-72(78(61)82-77(49)60)80-70-30-10-7-24-57(70)58-25-8-11-31-71(58)80)34-36-56(62)66(64)44-74(68)79(73)48-17-13-16-45(38-48)46-35-37-76-69(39-46)59-26-9-12-33-75(59)81-76;1-3-16-53-51(14-1)60-35-46(44-12-11-13-45(34-44)48-26-31-74-66(37-48)59-20-7-10-23-73(59)80-74)24-29-55(60)64-42-77-69(40-62(53)64)70-41-63-54-17-4-2-15-52(54)61-36-47(25-30-56(61)65(63)43-78(70)82-77)49-27-32-75-67(38-49)68-39-50(28-33-76(68)81-75)79-71-21-8-5-18-57(71)58-19-6-9-22-72(58)79/h3-48H,1-2H3;1-47H;1-44H;1-43H
InChIKeyQVELFBWXEQUULI-UHFFFAOYSA-N
XLogP95.22
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds16
Heavy Atoms344
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004483.61
LogP ≤ 595.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 9-[6-[27-(6-carbazol-9-yldibenzofuran-4-yl)-20,20-dimethyl-13-nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaenyl]dibenzofuran-4-yl]carbazole;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(8-carbazol-9-yldibenzothiophen-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(3-dibenzothiophen-2-ylphenyl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;9-[8-[27-(3-dibenzothiophen-2-ylphenyl)-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl]dibenzothiophen-2-yl]carbazole with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-[6-[27-(6-carbazol-9-yldibenzofuran-4-yl)-20,20-dimethyl-13-nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaenyl]dibenzofuran-4-yl]carbazole;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(8-carbazol-9-yldibenzothiophen-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(3-dibenzothiophen-2-ylphenyl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;9-[8-[27-(3-dibenzothiophen-2-ylphenyl)-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl]dibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-[6-[27-(6-carbazol-9-yldibenzofuran-4-yl)-20,20-dimethyl-13-nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaenyl]dibenzofuran-4-yl]carbazole;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(8-carbazol-9-yldibenzothiophen-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(3-dibenzothiophen-2-ylphenyl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;9-[8-[27-(3-dibenzothiophen-2-ylphenyl)-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl]dibenzothiophen-2-yl]carbazole (CID 160528177) is 9-[6-[27-(6-carbazol-9-yldibenzofuran-4-yl)-20,20-dimethyl-13-nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaenyl]dibenzofuran-4-yl]carbazole;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(8-carbazol-9-yldibenzothiophen-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(3-dibenzothiophen-2-ylphenyl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;9-[8-[27-(3-dibenzothiophen-2-ylphenyl)-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl]dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-[6-[27-(6-carbazol-9-yldibenzofuran-4-yl)-20,20-dimethyl-13-nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaenyl]dibenzofuran-4-yl]carbazole;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(8-carbazol-9-yldibenzothiophen-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(3-dibenzothiophen-2-ylphenyl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;9-[8-[27-(3-dibenzothiophen-2-ylphenyl)-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl]dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-[6-[27-(6-carbazol-9-yldibenzofuran-4-yl)-20,20-dimethyl-13-nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaenyl]dibenzofuran-4-yl]carbazole;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(8-carbazol-9-yldibenzothiophen-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(3-dibenzothiophen-2-ylphenyl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;9-[8-[27-(3-dibenzothiophen-2-ylphenyl)-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl]dibenzothiophen-2-yl]carbazole is CC1(C)c2cc3c4ccc(-c5cccc6c5oc5c(-n7c8ccccc8c8ccccc87)cccc56)cc4c4ccccc4c3cc2-c2cc3c4ccccc4c4cc(-c5cccc6c5oc5c(-n7c8ccccc8c8ccccc87)cccc56)ccc4c3cc21.c1cc(-c2ccc3c(c2)c2ccccc2c2cc4c5cc6c7ccccc7c7ccccc7c6cc5n(-c5ccc6sc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)c4cc32)c2sc3c(-n4c5ccccc5c5ccccc54)cccc3c2c1.c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccc3c(c2)c2ccccc2c2cc4c(cc32)sc2cc3c5ccc(-c6ccc7sc8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8c7c6)cc5c5ccccc5c3cc24)c1.c1cc(-c2ccc3sc4ccccc4c3c2)cc(-n2c3cc4c5ccccc5c5ccccc5c4cc3c3cc4c5ccccc5c5cc(-c6cccc7c6sc6c(-n8c9ccccc9c9ccccc98)cccc67)ccc5c4cc32)c1.
What is the InChIKey of 9-[6-[27-(6-carbazol-9-yldibenzofuran-4-yl)-20,20-dimethyl-13-nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaenyl]dibenzofuran-4-yl]carbazole;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(8-carbazol-9-yldibenzothiophen-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(3-dibenzothiophen-2-ylphenyl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;9-[8-[27-(3-dibenzothiophen-2-ylphenyl)-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl]dibenzothiophen-2-yl]carbazole?
The InChIKey is QVELFBWXEQUULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H52N2O2.C84H47N3S2.C78H44N2S2.C78H43NS3/c1-87(2)75-47-71-57-41-39-49(51-27-15-29-63-65-31-17-37-81(85(65)90-83(51)63)88-77-33-11-7-23-59(77)60-24-8-12-34-78(60)88)43-67(57)53-19-3-5-21-55(53)69(71)45-73(75)74-46-70-56-22-6-4-20-54(56)68-44-50(40-42-58(68)72(70)48-76(74)87)52-28-16-30-64-66-32-18-38-82(86(66)91-84(52)64)89-79-35-13-9-25-61(79)62-26-10-14-36-80(62)89;1-3-19-54-52(17-1)53-18-2-4-20-55(53)68-46-79-70(44-66(54)68)71-45-67-57-22-6-5-21-56(57)65-41-48(51-27-15-28-63-64-29-16-34-78(84(64)89-83(51)63)87-76-32-13-9-25-61(76)62-26-10-14-33-77(62)87)35-38-58(65)69(67)47-80(71)86(79)50-37-40-82-73(43-50)72-42-49(36-39-81(72)88-82)85-74-30-11-7-23-59(74)60-24-8-12-31-75(60)85;1-3-20-52-50(18-1)51-19-2-4-21-53(51)65-43-73-67(41-63(52)65)68-42-64-55-23-6-5-22-54(55)62-40-47(49-27-14-28-60-61-29-15-32-72(78(61)82-77(49)60)80-70-30-10-7-24-57(70)58-25-8-11-31-71(58)80)34-36-56(62)66(64)44-74(68)79(73)48-17-13-16-45(38-48)46-35-37-76-69(39-46)59-26-9-12-33-75(59)81-76;1-3-16-53-51(14-1)60-35-46(44-12-11-13-45(34-44)48-26-31-74-66(37-48)59-20-7-10-23-73(59)80-74)24-29-55(60)64-42-77-69(40-62(53)64)70-41-63-54-17-4-2-15-52(54)61-36-47(25-30-56(61)65(63)43-78(70)82-77)49-27-32-75-67(38-49)68-39-50(28-33-76(68)81-75)79-71-21-8-5-18-57(71)58-19-6-9-22-72(58)79/h3-48H,1-2H3;1-47H;1-44H;1-43H.
What are the key properties of 9-[6-[27-(6-carbazol-9-yldibenzofuran-4-yl)-20,20-dimethyl-13-nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaenyl]dibenzofuran-4-yl]carbazole;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(8-carbazol-9-yldibenzothiophen-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(3-dibenzothiophen-2-ylphenyl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;9-[8-[27-(3-dibenzothiophen-2-ylphenyl)-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl]dibenzothiophen-2-yl]carbazole?
9-[6-[27-(6-carbazol-9-yldibenzofuran-4-yl)-20,20-dimethyl-13-nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaenyl]dibenzofuran-4-yl]carbazole;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(8-carbazol-9-yldibenzothiophen-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(3-dibenzothiophen-2-ylphenyl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;9-[8-[27-(3-dibenzothiophen-2-ylphenyl)-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl]dibenzothiophen-2-yl]carbazole has a molecular weight of 4483.61 g/mol, XLogP of 95.22, 16 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[27-(6-carbazol-9-yldibenzofuran-4-yl)-20,20-dimethyl-13-nonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaenyl]dibenzofuran-4-yl]carbazole;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(8-carbazol-9-yldibenzothiophen-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;13-(6-carbazol-9-yldibenzothiophen-4-yl)-20-(3-dibenzothiophen-2-ylphenyl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24,26,28,30,32,34,36-octadecaene;9-[8-[27-(3-dibenzothiophen-2-ylphenyl)-20-thianonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11(16),12,14,17,22,24(29),25,27,30,32,34,36-octadecaen-13-yl]dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 160528177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).