1-[6-acetyl-9-[4-[8-[4-(3,6-diacetylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]carbazol-3-yl]ethanone;9-[4-[8-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-dimethoxycarbazole;9-[8-(3,6-dimethylcarbazol-9-yl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]-3,6-dimethylcarbazole;9-[3-[8-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-diphenylcarbazole

C252H176N8O8 — CID 157420595

IUPAC1-[6-acetyl-9-[4-[8-[4-(3,6-diacetylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]carbazol-3-yl]ethanone;9-[4-[8-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-dimethoxycarbazole;9-[8-(3,6-dimethylcarbazol-9-yl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]-3,6-dimethylcarbazole;9-[3-[8-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-diphenylcarbazole
SMILESCC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2-c1ccc(C23c4ccccc4C(c4ccc(-n5c6ccc(C(C)=O)cc6c6cc(C(C)=O)ccc65)cc4)(c4ccccc42)c2ccccc23)cc1.COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(C23c4ccccc4C(c4ccc(-n5c6ccc(OC)cc6c6cc(OC)ccc65)cc4)(c4ccccc42)c2ccccc23)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2C12c3ccccc3C(n3c4ccc(C)cc4c4cc(C)ccc43)(c3ccccc31)c1ccccc12.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(C34c5ccccc5C(c5cccc(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)c5)(c5ccccc53)c3ccccc34)c2)cc1
InChIInChI=1S/C80H52N2.C64H44N2O4.C60H44N2O4.C48H36N2/c1-5-21-53(22-6-1)57-39-43-75-65(47-57)66-48-58(54-23-7-2-8-24-54)40-44-76(66)81(75)63-31-19-29-61(51-63)79-69-33-13-16-36-72(69)80(73-37-17-14-34-70(73)79,74-38-18-15-35-71(74)79)62-30-20-32-64(52-62)82-77-45-41-59(55-25-9-3-10-26-55)49-67(77)68-50-60(42-46-78(68)82)56-27-11-4-12-28-56;1-37(67)41-17-29-59-49(33-41)50-34-42(38(2)68)18-30-60(50)65(59)47-25-21-45(22-26-47)63-53-11-5-8-14-56(53)64(57-15-9-6-12-54(57)63,58-16-10-7-13-55(58)63)46-23-27-48(28-24-46)66-61-31-19-43(39(3)69)35-51(61)52-36-44(40(4)70)20-32-62(52)66;1-63-41-25-29-55-45(33-41)46-34-42(64-2)26-30-56(46)61(55)39-21-17-37(18-22-39)59-49-11-5-8-14-52(49)60(53-15-9-6-12-50(53)59,54-16-10-7-13-51(54)59)38-19-23-40(24-20-38)62-57-31-27-43(65-3)35-47(57)48-36-44(66-4)28-32-58(48)62;1-29-17-21-43-33(25-29)34-26-30(2)18-22-44(34)49(43)47-37-11-5-8-14-40(37)48(41-15-9-6-12-38(41)47,42-16-10-7-13-39(42)47)50-45-23-19-31(3)27-35(45)36-28-32(4)20-24-46(36)50/h1-52H;5-36H,1-4H3;5-36H,1-4H3;5-28H,1-4H3
InChIKeyBPIWKXZPAOJBDC-UHFFFAOYSA-N
MW3444.23 g/mol
LogP58.78
Rot. Bonds26

About 1-[6-acetyl-9-[4-[8-[4-(3,6-diacetylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]carbazol-3-yl]ethanone;9-[4-[8-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-dimethoxycarbazole;9-[8-(3,6-dimethylcarbazol-9-yl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]-3,6-dimethylcarbazole;9-[3-[8-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-diphenylcarbazole

1-[6-acetyl-9-[4-[8-[4-(3,6-diacetylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]carbazol-3-yl]ethanone;9-[4-[8-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-dimethoxycarbazole;9-[8-(3,6-dimethylcarbazol-9-yl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]-3,6-dimethylcarbazole;9-[3-[8-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-diphenylcarbazole (PubChem CID 157420595) has the molecular formula C252H176N8O8 and a molecular weight of 3444.23 g/mol. Its IUPAC name is 1-[6-acetyl-9-[4-[8-[4-(3,6-diacetylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]carbazol-3-yl]ethanone;9-[4-[8-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-dimethoxycarbazole;9-[8-(3,6-dimethylcarbazol-9-yl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]-3,6-dimethylcarbazole;9-[3-[8-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-diphenylcarbazole.

Molecular Properties

Compound Name1-[6-acetyl-9-[4-[8-[4-(3,6-diacetylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]carbazol-3-yl]ethanone;9-[4-[8-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-dimethoxycarbazole;9-[8-(3,6-dimethylcarbazol-9-yl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]-3,6-dimethylcarbazole;9-[3-[8-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-diphenylcarbazole
PubChem CID157420595
Molecular FormulaC252H176N8O8
Molecular Weight3444.23 g/mol
Exact Mass3441.36
IUPAC Name1-[6-acetyl-9-[4-[8-[4-(3,6-diacetylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]carbazol-3-yl]ethanone;9-[4-[8-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-dimethoxycarbazole;9-[8-(3,6-dimethylcarbazol-9-yl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]-3,6-dimethylcarbazole;9-[3-[8-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-diphenylcarbazole
SMILESCC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2-c1ccc(C23c4ccccc4C(c4ccc(-n5c6ccc(C(C)=O)cc6c6cc(C(C)=O)ccc65)cc4)(c4ccccc42)c2ccccc23)cc1.COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(C23c4ccccc4C(c4ccc(-n5c6ccc(OC)cc6c6cc(OC)ccc65)cc4)(c4ccccc42)c2ccccc23)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2C12c3ccccc3C(n3c4ccc(C)cc4c4cc(C)ccc43)(c3ccccc31)c1ccccc12.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(C34c5ccccc5C(c5cccc(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)c5)(c5ccccc53)c3ccccc34)c2)cc1
InChIInChI=1S/C80H52N2.C64H44N2O4.C60H44N2O4.C48H36N2/c1-5-21-53(22-6-1)57-39-43-75-65(47-57)66-48-58(54-23-7-2-8-24-54)40-44-76(66)81(75)63-31-19-29-61(51-63)79-69-33-13-16-36-72(69)80(73-37-17-14-34-70(73)79,74-38-18-15-35-71(74)79)62-30-20-32-64(52-62)82-77-45-41-59(55-25-9-3-10-26-55)49-67(77)68-50-60(42-46-78(68)82)56-27-11-4-12-28-56;1-37(67)41-17-29-59-49(33-41)50-34-42(38(2)68)18-30-60(50)65(59)47-25-21-45(22-26-47)63-53-11-5-8-14-56(53)64(57-15-9-6-12-54(57)63,58-16-10-7-13-55(58)63)46-23-27-48(28-24-46)66-61-31-19-43(39(3)69)35-51(61)52-36-44(40(4)70)20-32-62(52)66;1-63-41-25-29-55-45(33-41)46-34-42(64-2)26-30-56(46)61(55)39-21-17-37(18-22-39)59-49-11-5-8-14-52(49)60(53-15-9-6-12-50(53)59,54-16-10-7-13-51(54)59)38-19-23-40(24-20-38)62-57-31-27-43(65-3)35-47(57)48-36-44(66-4)28-32-58(48)62;1-29-17-21-43-33(25-29)34-26-30(2)18-22-44(34)49(43)47-37-11-5-8-14-40(37)48(41-15-9-6-12-38(41)47,42-16-10-7-13-39(42)47)50-45-23-19-31(3)27-35(45)36-28-32(4)20-24-46(36)50/h1-52H;5-36H,1-4H3;5-36H,1-4H3;5-28H,1-4H3
InChIKeyBPIWKXZPAOJBDC-UHFFFAOYSA-N
XLogP58.78
TPSA144.64 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds26
Heavy Atoms268
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003444.23
LogP ≤ 558.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-[6-acetyl-9-[4-[8-[4-(3,6-diacetylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]carbazol-3-yl]ethanone;9-[4-[8-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-dimethoxycarbazole;9-[8-(3,6-dimethylcarbazol-9-yl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]-3,6-dimethylcarbazole;9-[3-[8-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-diphenylcarbazole with MolForge

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Related Compounds

3-[9-Dibenzofuran-2-yl-6-(6-fluoro-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-fluoro-9-phenylcarbazole
CID 68112373
3-(8-Carbazol-9-yldibenzofuran-4-yl)-9-dibenzofuran-2-yl-6-(trifluoromethyl)carbazole
CID 134343652
3-[9-Dibenzofuran-2-yl-6-[6-(4-fluorophenyl)-9-phenylcarbazol-3-yl]carbazol-3-yl]-6-(4-fluorophenyl)-9-phenylcarbazole
CID 137420869
6,24-Bis(4-fluorophenyl)-10-[2-phenoxy-5-[24-(4-phenoxyphenyl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl]phenyl]-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18,20,22,26-dodecaene
CID 138736933
14-[3-(2-Carbazol-9-ylpropan-2-yl)-2,4-bis(4-fluorophenyl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139552773
14-[2,5-Bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(4-fluorophenyl)-3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139552785
14-[3-(2-Carbazol-9-ylpropan-2-yl)-2-(3-methylphenyl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139552798
14-[2,5-Bis(2-carbazol-9-ylpropan-2-yl)-3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139552831
14-[2-(2-Carbazol-9-ylpropan-2-yl)-3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139552864
14-[2,5-Bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139552875
14-[3-(2-Carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)-5-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 139552876
CID 139552941
CID 139552941

Frequently Asked Questions

What is the IUPAC name of 1-[6-acetyl-9-[4-[8-[4-(3,6-diacetylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]carbazol-3-yl]ethanone;9-[4-[8-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-dimethoxycarbazole;9-[8-(3,6-dimethylcarbazol-9-yl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]-3,6-dimethylcarbazole;9-[3-[8-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-diphenylcarbazole?
The IUPAC name of 1-[6-acetyl-9-[4-[8-[4-(3,6-diacetylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]carbazol-3-yl]ethanone;9-[4-[8-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-dimethoxycarbazole;9-[8-(3,6-dimethylcarbazol-9-yl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]-3,6-dimethylcarbazole;9-[3-[8-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-diphenylcarbazole (CID 157420595) is 1-[6-acetyl-9-[4-[8-[4-(3,6-diacetylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]carbazol-3-yl]ethanone;9-[4-[8-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-dimethoxycarbazole;9-[8-(3,6-dimethylcarbazol-9-yl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]-3,6-dimethylcarbazole;9-[3-[8-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-diphenylcarbazole.
What is the SMILES notation for 1-[6-acetyl-9-[4-[8-[4-(3,6-diacetylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]carbazol-3-yl]ethanone;9-[4-[8-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-dimethoxycarbazole;9-[8-(3,6-dimethylcarbazol-9-yl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]-3,6-dimethylcarbazole;9-[3-[8-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-diphenylcarbazole?
The canonical SMILES for 1-[6-acetyl-9-[4-[8-[4-(3,6-diacetylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]carbazol-3-yl]ethanone;9-[4-[8-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-dimethoxycarbazole;9-[8-(3,6-dimethylcarbazol-9-yl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]-3,6-dimethylcarbazole;9-[3-[8-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-diphenylcarbazole is CC(=O)c1ccc2c(c1)c1cc(C(C)=O)ccc1n2-c1ccc(C23c4ccccc4C(c4ccc(-n5c6ccc(C(C)=O)cc6c6cc(C(C)=O)ccc65)cc4)(c4ccccc42)c2ccccc23)cc1.COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(C23c4ccccc4C(c4ccc(-n5c6ccc(OC)cc6c6cc(OC)ccc65)cc4)(c4ccccc42)c2ccccc23)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2C12c3ccccc3C(n3c4ccc(C)cc4c4cc(C)ccc43)(c3ccccc31)c1ccccc12.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(C34c5ccccc5C(c5cccc(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)c5)(c5ccccc53)c3ccccc34)c2)cc1.
What is the InChIKey of 1-[6-acetyl-9-[4-[8-[4-(3,6-diacetylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]carbazol-3-yl]ethanone;9-[4-[8-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-dimethoxycarbazole;9-[8-(3,6-dimethylcarbazol-9-yl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]-3,6-dimethylcarbazole;9-[3-[8-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-diphenylcarbazole?
The InChIKey is BPIWKXZPAOJBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H52N2.C64H44N2O4.C60H44N2O4.C48H36N2/c1-5-21-53(22-6-1)57-39-43-75-65(47-57)66-48-58(54-23-7-2-8-24-54)40-44-76(66)81(75)63-31-19-29-61(51-63)79-69-33-13-16-36-72(69)80(73-37-17-14-34-70(73)79,74-38-18-15-35-71(74)79)62-30-20-32-64(52-62)82-77-45-41-59(55-25-9-3-10-26-55)49-67(77)68-50-60(42-46-78(68)82)56-27-11-4-12-28-56;1-37(67)41-17-29-59-49(33-41)50-34-42(38(2)68)18-30-60(50)65(59)47-25-21-45(22-26-47)63-53-11-5-8-14-56(53)64(57-15-9-6-12-54(57)63,58-16-10-7-13-55(58)63)46-23-27-48(28-24-46)66-61-31-19-43(39(3)69)35-51(61)52-36-44(40(4)70)20-32-62(52)66;1-63-41-25-29-55-45(33-41)46-34-42(64-2)26-30-56(46)61(55)39-21-17-37(18-22-39)59-49-11-5-8-14-52(49)60(53-15-9-6-12-50(53)59,54-16-10-7-13-51(54)59)38-19-23-40(24-20-38)62-57-31-27-43(65-3)35-47(57)48-36-44(66-4)28-32-58(48)62;1-29-17-21-43-33(25-29)34-26-30(2)18-22-44(34)49(43)47-37-11-5-8-14-40(37)48(41-15-9-6-12-38(41)47,42-16-10-7-13-39(42)47)50-45-23-19-31(3)27-35(45)36-28-32(4)20-24-46(36)50/h1-52H;5-36H,1-4H3;5-36H,1-4H3;5-28H,1-4H3.
What are the key properties of 1-[6-acetyl-9-[4-[8-[4-(3,6-diacetylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]carbazol-3-yl]ethanone;9-[4-[8-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-dimethoxycarbazole;9-[8-(3,6-dimethylcarbazol-9-yl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]-3,6-dimethylcarbazole;9-[3-[8-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-diphenylcarbazole?
1-[6-acetyl-9-[4-[8-[4-(3,6-diacetylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]carbazol-3-yl]ethanone;9-[4-[8-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-dimethoxycarbazole;9-[8-(3,6-dimethylcarbazol-9-yl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]-3,6-dimethylcarbazole;9-[3-[8-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-diphenylcarbazole has a molecular weight of 3444.23 g/mol, XLogP of 58.78, 26 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-acetyl-9-[4-[8-[4-(3,6-diacetylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]carbazol-3-yl]ethanone;9-[4-[8-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-dimethoxycarbazole;9-[8-(3,6-dimethylcarbazol-9-yl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]-3,6-dimethylcarbazole;9-[3-[8-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl]phenyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 157420595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).