12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;14-[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

C330H192N14O14 — CID 159106618

IUPAC12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;14-[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
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1.c1cc(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)cc(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c1.c1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1.c1ccc(-c2cc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)c3)cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)cc1.c1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)cc4)cc3)c21.c1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)c21
InChIInChI=1S/C60H36N2O2.3C48H28N2O2.3C42H24N2O2/c1-3-15-37(16-4-1)39-31-41(35-43(33-39)61-53-23-11-7-19-45(53)49-27-29-51-47-21-9-13-25-55(47)63-59(51)57(49)61)42-32-40(38-17-5-2-6-18-38)34-44(36-42)62-54-24-12-8-20-46(54)50-28-30-52-48-22-10-14-26-56(48)64-60(52)58(50)62;1-5-19-41-33(15-1)37-23-25-39-35-17-3-7-21-43(35)51-47(39)45(37)49(41)31-13-9-11-29(27-31)30-12-10-14-32(28-30)50-42-20-6-2-16-34(42)38-24-26-40-36-18-4-8-22-44(36)52-48(40)46(38)50;1-5-13-41-33(9-1)37-25-27-39-35-11-3-7-15-43(35)51-47(39)45(37)49(41)31-21-17-29(18-22-31)30-19-23-32(24-20-30)50-42-14-6-2-10-34(42)38-26-28-40-36-12-4-8-16-44(36)52-48(40)46(38)50;1-2-12-29(13-3-1)30-26-31(49-41-18-8-4-14-33(41)37-22-24-39-35-16-6-10-20-43(35)51-47(39)45(37)49)28-32(27-30)50-42-19-9-5-15-34(42)38-23-25-40-36-17-7-11-21-44(36)52-48(40)46(38)50;1-5-16-35-27(12-1)31-20-22-33-29-14-3-7-18-37(29)45-41(33)39(31)43(35)25-10-9-11-26(24-25)44-36-17-6-2-13-28(36)32-21-23-34-30-15-4-8-19-38(30)46-42(34)40(32)44;1-5-16-31-27(12-1)39-33(20-22-37-41(39)29-14-3-7-18-35(29)45-37)43(31)25-10-9-11-26(24-25)44-32-17-6-2-13-28(32)40-34(44)21-23-38-42(40)30-15-4-8-19-36(30)46-38;1-5-13-35-27(9-1)31-21-23-33-29-11-3-7-15-37(29)45-41(33)39(31)43(35)25-17-19-26(20-18-25)44-36-14-6-2-10-28(36)32-22-24-34-30-12-4-8-16-38(30)46-42(34)40(32)44/h1-36H;3*1-28H;3*1-24H
InChIKeyKDYTVVPGEILJAO-UHFFFAOYSA-N
MW4577.25 g/mol
LogP91.76
Rot. Bonds20

About 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;14-[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

12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;14-[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 (PubChem CID 159106618) has the molecular formula C330H192N14O14 and a molecular weight of 4577.25 g/mol. Its IUPAC name is 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;14-[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.

Molecular Properties

Compound Name12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;14-[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
PubChem CID159106618
Molecular FormulaC330H192N14O14
Molecular Weight4577.25 g/mol
Exact Mass4573.47
IUPAC Name12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;14-[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
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1.c1cc(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)cc(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c1.c1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1.c1ccc(-c2cc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)c3)cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)cc1.c1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)cc4)cc3)c21.c1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)c21
InChIInChI=1S/C60H36N2O2.3C48H28N2O2.3C42H24N2O2/c1-3-15-37(16-4-1)39-31-41(35-43(33-39)61-53-23-11-7-19-45(53)49-27-29-51-47-21-9-13-25-55(47)63-59(51)57(49)61)42-32-40(38-17-5-2-6-18-38)34-44(36-42)62-54-24-12-8-20-46(54)50-28-30-52-48-22-10-14-26-56(48)64-60(52)58(50)62;1-5-19-41-33(15-1)37-23-25-39-35-17-3-7-21-43(35)51-47(39)45(37)49(41)31-13-9-11-29(27-31)30-12-10-14-32(28-30)50-42-20-6-2-16-34(42)38-24-26-40-36-18-4-8-22-44(36)52-48(40)46(38)50;1-5-13-41-33(9-1)37-25-27-39-35-11-3-7-15-43(35)51-47(39)45(37)49(41)31-21-17-29(18-22-31)30-19-23-32(24-20-30)50-42-14-6-2-10-34(42)38-26-28-40-36-12-4-8-16-44(36)52-48(40)46(38)50;1-2-12-29(13-3-1)30-26-31(49-41-18-8-4-14-33(41)37-22-24-39-35-16-6-10-20-43(35)51-47(39)45(37)49)28-32(27-30)50-42-19-9-5-15-34(42)38-23-25-40-36-17-7-11-21-44(36)52-48(40)46(38)50;1-5-16-35-27(12-1)31-20-22-33-29-14-3-7-18-37(29)45-41(33)39(31)43(35)25-10-9-11-26(24-25)44-36-17-6-2-13-28(36)32-21-23-34-30-15-4-8-19-38(30)46-42(34)40(32)44;1-5-16-31-27(12-1)39-33(20-22-37-41(39)29-14-3-7-18-35(29)45-37)43(31)25-10-9-11-26(24-25)44-32-17-6-2-13-28(32)40-34(44)21-23-38-42(40)30-15-4-8-19-36(30)46-38;1-5-13-35-27(9-1)31-21-23-33-29-11-3-7-15-37(29)45-41(33)39(31)43(35)25-17-19-26(20-18-25)44-36-14-6-2-10-28(36)32-22-24-34-30-12-4-8-16-38(30)46-42(34)40(32)44/h1-36H;3*1-28H;3*1-24H
InChIKeyKDYTVVPGEILJAO-UHFFFAOYSA-N
XLogP91.76
TPSA252.98 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds20
Heavy Atoms358
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004577.25
LogP ≤ 591.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;14-[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 with MolForge

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Related Compounds

12-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510073
12-phenyl-2-(14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-[1]benzofuro[2,3-a]carbazole
CID 134223483
12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510159
12-dibenzofuran-2-yl-5-[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598858
12-[3-(4-dibenzofuran-2-ylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163763332
3-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-12-phenyl-[1]benzofuro[2,3-a]carbazole
CID 134223675
9-dibenzofuran-3-yl-14-(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-dibenzofuran-3-yl-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 165079069
15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-10-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-phenyl-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-10-oxa-15,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
CID 157491717
5-(9-dibenzofuran-2-ylcarbazol-3-yl)-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268239
12-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166509852
[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-(4-carbazol-9-ylphenyl)-diphenylsilane;[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-(4-carbazol-9-ylphenyl)-diphenylsilane;[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-(4-carbazol-9-ylphenyl)-diphenylsilane
CID 158577794
9-dibenzofuran-2-yl-14-[3-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166961355

Frequently Asked Questions

What is the IUPAC name of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;14-[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?
The IUPAC name of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;14-[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 159106618) is 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;14-[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.
What is the SMILES notation for 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;14-[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?
The canonical SMILES for 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;14-[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 is c1cc(-c2cccc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1.c1cc(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)cc(-n2c3ccccc3c3c4c(ccc32)oc2ccccc24)c1.c1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c1.c1ccc(-c2cc(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)c3)cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)cc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)c2)cc1.c1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)cc4)cc3)c21.c1ccc2c(c1)oc1c2ccc2c3ccccc3n(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)c21.
What is the InChIKey of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;14-[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?
The InChIKey is KDYTVVPGEILJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2O2.3C48H28N2O2.3C42H24N2O2/c1-3-15-37(16-4-1)39-31-41(35-43(33-39)61-53-23-11-7-19-45(53)49-27-29-51-47-21-9-13-25-55(47)63-59(51)57(49)61)42-32-40(38-17-5-2-6-18-38)34-44(36-42)62-54-24-12-8-20-46(54)50-28-30-52-48-22-10-14-26-56(48)64-60(52)58(50)62;1-5-19-41-33(15-1)37-23-25-39-35-17-3-7-21-43(35)51-47(39)45(37)49(41)31-13-9-11-29(27-31)30-12-10-14-32(28-30)50-42-20-6-2-16-34(42)38-24-26-40-36-18-4-8-22-44(36)52-48(40)46(38)50;1-5-13-41-33(9-1)37-25-27-39-35-11-3-7-15-43(35)51-47(39)45(37)49(41)31-21-17-29(18-22-31)30-19-23-32(24-20-30)50-42-14-6-2-10-34(42)38-26-28-40-36-12-4-8-16-44(36)52-48(40)46(38)50;1-2-12-29(13-3-1)30-26-31(49-41-18-8-4-14-33(41)37-22-24-39-35-16-6-10-20-43(35)51-47(39)45(37)49)28-32(27-30)50-42-19-9-5-15-34(42)38-23-25-40-36-17-7-11-21-44(36)52-48(40)46(38)50;1-5-16-35-27(12-1)31-20-22-33-29-14-3-7-18-37(29)45-41(33)39(31)43(35)25-10-9-11-26(24-25)44-36-17-6-2-13-28(36)32-21-23-34-30-15-4-8-19-38(30)46-42(34)40(32)44;1-5-16-31-27(12-1)39-33(20-22-37-41(39)29-14-3-7-18-35(29)45-37)43(31)25-10-9-11-26(24-25)44-32-17-6-2-13-28(32)40-34(44)21-23-38-42(40)30-15-4-8-19-36(30)46-38;1-5-13-35-27(9-1)31-21-23-33-29-11-3-7-15-37(29)45-41(33)39(31)43(35)25-17-19-26(20-18-25)44-36-14-6-2-10-28(36)32-22-24-34-30-12-4-8-16-38(30)46-42(34)40(32)44/h1-36H;3*1-28H;3*1-24H.
What are the key properties of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;14-[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?
12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;14-[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 has a molecular weight of 4577.25 g/mol, XLogP of 91.76, 20 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-5-phenylphenyl]-5-phenylphenyl]-[1]benzofuro[2,3-a]carbazole;14-[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 is sourced from PubChem (CID 159106618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).