18-carbazol-9-yl-21-thia-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-2-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-4-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene

C224H131N7O9S — CID 157167170

IUPAC18-carbazol-9-yl-21-thia-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-2-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-4-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene
SMILESc1ccc2c(c1)-c1ccccc1N1c3ccc(-c4ccc5c(c4)Oc4cccc6c4N5c4ccccc4-c4ccccc4-6)cc3Oc3cccc-2c31.c1ccc2c(c1)-c1ccccc1N1c3ccc(-c4ccc5oc6ccccc6c5c4)cc3Oc3cc(-c4ccc5oc6ccccc6c5c4)cc-2c31.c1ccc2c(c1)-c1ccccc1N1c3ccc(-c4cccc5c4oc4ccccc45)cc3Oc3cc(-c4cccc5c4oc4ccccc45)cc-2c31.c1ccc2c(c1)-c1ccccc1N1c3ccc(-c4cccc5ccccc45)cc3Oc3cc(-c4cccc5ccccc45)cc-2c31.c1ccc2c(c1)-c1ccccc1N1c3ccc(-n4c5ccccc5c5ccccc54)cc3Sc3cccc-2c31
InChIInChI=1S/C48H28N2O2.2C48H27NO3.C44H27NO.C36H22N2S/c1-3-13-33-31(11-1)35-15-5-7-19-39(35)49-41-25-23-29(27-45(41)51-43-21-9-17-37(33)47(43)49)30-24-26-42-46(28-30)52-44-22-10-18-38-34-14-4-2-12-32(34)36-16-6-8-20-40(36)50(42)48(38)44;1-2-12-33-32(11-1)34-13-3-6-20-40(34)49-41-24-23-28(30-16-9-18-37-35-14-4-7-21-42(35)51-47(30)37)26-44(41)50-45-27-29(25-39(33)46(45)49)31-17-10-19-38-36-15-5-8-22-43(36)52-48(31)38;1-2-10-33-32(9-1)34-11-3-6-14-40(34)49-41-20-17-30(28-18-21-44-37(23-28)35-12-4-7-15-42(35)50-44)26-46(41)52-47-27-31(25-39(33)48(47)49)29-19-22-45-38(24-29)36-13-5-8-16-43(36)51-45;1-3-15-32-28(11-1)13-9-20-34(32)30-23-24-41-42(26-30)46-43-27-31(35-21-10-14-29-12-2-4-16-33(29)35)25-39-37-18-6-5-17-36(37)38-19-7-8-22-40(38)45(41)44(39)43;1-2-11-25-24(10-1)26-12-3-8-18-32(26)38-33-21-20-23(22-35(33)39-34-19-9-15-29(25)36(34)38)37-30-16-6-4-13-27(30)28-14-5-7-17-31(28)37/h1-28H;2*1-27H;1-27H;1-22H
InChIKeyANAZMWKUERDDLQ-UHFFFAOYSA-N
MW3096.62 g/mol
LogP64.80
Rot. Bonds8

About 18-carbazol-9-yl-21-thia-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-2-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-4-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene

18-carbazol-9-yl-21-thia-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-2-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-4-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene (PubChem CID 157167170) has the molecular formula C224H131N7O9S and a molecular weight of 3096.62 g/mol. Its IUPAC name is 18-carbazol-9-yl-21-thia-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-2-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-4-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene.

Molecular Properties

Compound Name18-carbazol-9-yl-21-thia-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-2-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-4-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene
PubChem CID157167170
Molecular FormulaC224H131N7O9S
Molecular Weight3096.62 g/mol
Exact Mass3093.97
IUPAC Name18-carbazol-9-yl-21-thia-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-2-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-4-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene
SMILESc1ccc2c(c1)-c1ccccc1N1c3ccc(-c4ccc5c(c4)Oc4cccc6c4N5c4ccccc4-c4ccccc4-6)cc3Oc3cccc-2c31.c1ccc2c(c1)-c1ccccc1N1c3ccc(-c4ccc5oc6ccccc6c5c4)cc3Oc3cc(-c4ccc5oc6ccccc6c5c4)cc-2c31.c1ccc2c(c1)-c1ccccc1N1c3ccc(-c4cccc5c4oc4ccccc45)cc3Oc3cc(-c4cccc5c4oc4ccccc45)cc-2c31.c1ccc2c(c1)-c1ccccc1N1c3ccc(-c4cccc5ccccc45)cc3Oc3cc(-c4cccc5ccccc45)cc-2c31.c1ccc2c(c1)-c1ccccc1N1c3ccc(-n4c5ccccc5c5ccccc54)cc3Sc3cccc-2c31
InChIInChI=1S/C48H28N2O2.2C48H27NO3.C44H27NO.C36H22N2S/c1-3-13-33-31(11-1)35-15-5-7-19-39(35)49-41-25-23-29(27-45(41)51-43-21-9-17-37(33)47(43)49)30-24-26-42-46(28-30)52-44-22-10-18-38-34-14-4-2-12-32(34)36-16-6-8-20-40(36)50(42)48(38)44;1-2-12-33-32(11-1)34-13-3-6-20-40(34)49-41-24-23-28(30-16-9-18-37-35-14-4-7-21-42(35)51-47(30)37)26-44(41)50-45-27-29(25-39(33)46(45)49)31-17-10-19-38-36-15-5-8-22-43(36)52-48(31)38;1-2-10-33-32(9-1)34-11-3-6-14-40(34)49-41-20-17-30(28-18-21-44-37(23-28)35-12-4-7-15-42(35)50-44)26-46(41)52-47-27-31(25-39(33)48(47)49)29-19-22-45-38(24-29)36-13-5-8-16-43(36)51-45;1-3-15-32-28(11-1)13-9-20-34(32)30-23-24-41-42(26-30)46-43-27-31(35-21-10-14-29-12-2-4-16-33(29)35)25-39-37-18-6-5-17-36(37)38-19-7-8-22-40(38)45(41)44(39)43;1-2-11-25-24(10-1)26-12-3-8-18-32(26)38-33-21-20-23(22-35(33)39-34-19-9-15-29(25)36(34)38)37-30-16-6-4-13-27(30)28-14-5-7-17-31(28)37/h1-28H;2*1-27H;1-27H;1-22H
InChIKeyANAZMWKUERDDLQ-UHFFFAOYSA-N
XLogP64.80
TPSA123.08 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003096.62
LogP ≤ 564.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 18-carbazol-9-yl-21-thia-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-2-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-4-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene with MolForge

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Related Compounds

18,24-di(dibenzofuran-4-yl)-21-thia-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene
CID 134509818
10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenothiazine
CID 134475813
10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenoxazine
CID 134476372
N-(4-carbazol-9-ylphenyl)-N-[4-(10-phenylphenothiazin-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(10-phenylphenothiazin-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(10-phenylphenothiazin-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(10-phenylphenothiazin-3-yl)phenyl]naphthalen-1-amine;N-naphthalen-1-yl-10-phenyl-N-[4-(10-phenylphenothiazin-3-yl)phenyl]phenoxazin-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(10-phenylphenothiazin-3-yl)phenyl]naphthalen-1-amine
CID 159537331
2-(4-dibenzofuran-2-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 137474165
N-(3-carbazol-9-yl-5-phenoxazin-10-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-3,5-di(phenothiazin-10-yl)-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[3,5-di(phenoxazin-10-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-4-ylphenyl)-3-phenothiazin-10-yl-5-phenoxazin-10-yl-N-(4-phenylphenyl)aniline
CID 159542465
3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole
CID 142356757
3-dibenzofuran-4-yl-9-[4-[8-(3-dibenzofuran-4-ylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 121449462
10-[3-carbazol-9-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]phenoxazine
CID 155120100
9-(6-dibenzofuran-3-yldibenzofuran-2-yl)carbazole
CID 146558798
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 121449395
2-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-naphthalen-1-ylphenyl)carbazole;2-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-naphthalen-2-ylphenyl)carbazole;2-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(3-phenanthren-2-ylphenyl)carbazole
CID 167618206

Frequently Asked Questions

What is the IUPAC name of 18-carbazol-9-yl-21-thia-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-2-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-4-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene?
The IUPAC name of 18-carbazol-9-yl-21-thia-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-2-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-4-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene (CID 157167170) is 18-carbazol-9-yl-21-thia-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-2-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-4-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene.
What is the SMILES notation for 18-carbazol-9-yl-21-thia-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-2-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-4-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene?
The canonical SMILES for 18-carbazol-9-yl-21-thia-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-2-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-4-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene is c1ccc2c(c1)-c1ccccc1N1c3ccc(-c4ccc5c(c4)Oc4cccc6c4N5c4ccccc4-c4ccccc4-6)cc3Oc3cccc-2c31.c1ccc2c(c1)-c1ccccc1N1c3ccc(-c4ccc5oc6ccccc6c5c4)cc3Oc3cc(-c4ccc5oc6ccccc6c5c4)cc-2c31.c1ccc2c(c1)-c1ccccc1N1c3ccc(-c4cccc5c4oc4ccccc45)cc3Oc3cc(-c4cccc5c4oc4ccccc45)cc-2c31.c1ccc2c(c1)-c1ccccc1N1c3ccc(-c4cccc5ccccc45)cc3Oc3cc(-c4cccc5ccccc45)cc-2c31.c1ccc2c(c1)-c1ccccc1N1c3ccc(-n4c5ccccc5c5ccccc54)cc3Sc3cccc-2c31.
What is the InChIKey of 18-carbazol-9-yl-21-thia-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-2-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-4-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene?
The InChIKey is ANAZMWKUERDDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N2O2.2C48H27NO3.C44H27NO.C36H22N2S/c1-3-13-33-31(11-1)35-15-5-7-19-39(35)49-41-25-23-29(27-45(41)51-43-21-9-17-37(33)47(43)49)30-24-26-42-46(28-30)52-44-22-10-18-38-34-14-4-2-12-32(34)36-16-6-8-20-40(36)50(42)48(38)44;1-2-12-33-32(11-1)34-13-3-6-20-40(34)49-41-24-23-28(30-16-9-18-37-35-14-4-7-21-42(35)51-47(30)37)26-44(41)50-45-27-29(25-39(33)46(45)49)31-17-10-19-38-36-15-5-8-22-43(36)52-48(31)38;1-2-10-33-32(9-1)34-11-3-6-14-40(34)49-41-20-17-30(28-18-21-44-37(23-28)35-12-4-7-15-42(35)50-44)26-46(41)52-47-27-31(25-39(33)48(47)49)29-19-22-45-38(24-29)36-13-5-8-16-43(36)51-45;1-3-15-32-28(11-1)13-9-20-34(32)30-23-24-41-42(26-30)46-43-27-31(35-21-10-14-29-12-2-4-16-33(29)35)25-39-37-18-6-5-17-36(37)38-19-7-8-22-40(38)45(41)44(39)43;1-2-11-25-24(10-1)26-12-3-8-18-32(26)38-33-21-20-23(22-35(33)39-34-19-9-15-29(25)36(34)38)37-30-16-6-4-13-27(30)28-14-5-7-17-31(28)37/h1-28H;2*1-27H;1-27H;1-22H.
What are the key properties of 18-carbazol-9-yl-21-thia-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-2-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-4-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene?
18-carbazol-9-yl-21-thia-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-2-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-4-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene has a molecular weight of 3096.62 g/mol, XLogP of 64.80, 8 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 18-carbazol-9-yl-21-thia-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-2-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-di(dibenzofuran-4-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18,24-dinaphthalen-1-yl-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene;18-(21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaen-18-yl)-21-oxa-14-azahexacyclo[12.11.1.02,7.08,13.015,20.022,26]hexacosa-1(26),2,4,6,8,10,12,15(20),16,18,22,24-dodecaene is sourced from PubChem (CID 157167170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).