11-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;12-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;15-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;16-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;17-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene

C246H167N17O6 — CID 157250316

IUPAC11-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;12-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;15-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;16-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;17-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene
SMILESc1ccc(N2CCOc3cc4c(cc32)-c2cc(-n3c5ccccc5c5ccccc53)ccc2-c2ccccc2-c2cccnc2-4)cc1.c1ccc(N2CCOc3cc4c(cc32)-c2ccc(-n3c5ccccc5c5ccccc53)cc2-c2ccccc2-c2cccnc2-4)cc1.c1ccc(N2CCOc3cc4c(cc32)-c2cccc(-n3c5ccccc5c5ccccc53)c2-c2ccccc2-c2cccnc2-4)cc1.c1ccc(N2CCOc3cc4c(cc32)-c2ccccc2-c2c(cccc2-n2c3ccccc3c3ccccc32)-c2cccnc2-4)cc1.c1ccc(N2CCOc3cc4c(cc32)-c2ccccc2-c2cc(-n3c5ccccc5c5ccccc53)ccc2-c2cccnc2-4)cc1.c1ccc(N2CCOc3cc4c(cc32)-c2ccccc2-c2ccccc2-c2cccnc2-4)cc1
InChIInChI=1S/5C43H29N3O.C31H22N2O/c1-2-12-28(13-3-1)45-24-25-47-41-27-36-35(26-40(41)45)29-14-4-5-17-32(29)42-33(34-19-11-23-44-43(34)36)18-10-22-39(42)46-37-20-8-6-15-30(37)31-16-7-9-21-38(31)46;1-2-12-28(13-3-1)45-24-25-47-41-27-36-35(26-40(41)45)33-18-10-22-39(46-37-20-8-6-15-30(37)31-16-7-9-21-38(31)46)42(33)32-17-5-4-14-29(32)34-19-11-23-44-43(34)36;1-2-11-28(12-3-1)45-23-24-47-42-27-38-37(26-41(42)45)31-14-5-4-13-30(31)36-25-29(20-21-32(36)35-17-10-22-44-43(35)38)46-39-18-8-6-15-33(39)34-16-7-9-19-40(34)46;1-2-11-28(12-3-1)45-23-24-47-42-27-38-37(26-41(42)45)32-21-20-29(46-39-18-8-6-15-33(39)34-16-7-9-19-40(34)46)25-36(32)31-14-5-4-13-30(31)35-17-10-22-44-43(35)38;1-2-11-28(12-3-1)45-23-24-47-42-27-38-37(26-41(42)45)36-25-29(46-39-18-8-6-15-33(39)34-16-7-9-19-40(34)46)20-21-32(36)30-13-4-5-14-31(30)35-17-10-22-44-43(35)38;1-2-9-21(10-3-1)33-17-18-34-30-20-28-27(19-29(30)33)25-14-7-5-12-23(25)22-11-4-6-13-24(22)26-15-8-16-32-31(26)28/h2*1-23,26-27H,24-25H2;3*1-22,25-27H,23-24H2;1-16,19-20H,17-18H2/b34-33-,35-29-,42-32+,43-36+;34-29-,35-33-,42-32+,43-36+;35-32-,36-30-,37-31-,43-38+;35-30-,36-31-,37-32-,43-38+;32-30-,35-31-,37-36-,43-38+;23-22-,26-24-,27-25-,31-28+
InChIKeyAWGLWEFBBWTKSO-CONWMTTRSA-N
MW3457.15 g/mol
LogP61.05
Rot. Bonds11

About 11-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;12-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;15-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;16-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;17-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene

11-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;12-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;15-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;16-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;17-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene (PubChem CID 157250316) has the molecular formula C246H167N17O6 and a molecular weight of 3457.15 g/mol. Its IUPAC name is 11-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;12-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;15-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;16-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;17-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene.

Molecular Properties

Compound Name11-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;12-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;15-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;16-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;17-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene
PubChem CID157250316
Molecular FormulaC246H167N17O6
Molecular Weight3457.15 g/mol
Exact Mass3454.33
IUPAC Name11-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;12-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;15-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;16-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;17-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene
SMILESc1ccc(N2CCOc3cc4c(cc32)-c2cc(-n3c5ccccc5c5ccccc53)ccc2-c2ccccc2-c2cccnc2-4)cc1.c1ccc(N2CCOc3cc4c(cc32)-c2ccc(-n3c5ccccc5c5ccccc53)cc2-c2ccccc2-c2cccnc2-4)cc1.c1ccc(N2CCOc3cc4c(cc32)-c2cccc(-n3c5ccccc5c5ccccc53)c2-c2ccccc2-c2cccnc2-4)cc1.c1ccc(N2CCOc3cc4c(cc32)-c2ccccc2-c2c(cccc2-n2c3ccccc3c3ccccc32)-c2cccnc2-4)cc1.c1ccc(N2CCOc3cc4c(cc32)-c2ccccc2-c2cc(-n3c5ccccc5c5ccccc53)ccc2-c2cccnc2-4)cc1.c1ccc(N2CCOc3cc4c(cc32)-c2ccccc2-c2ccccc2-c2cccnc2-4)cc1
InChIInChI=1S/5C43H29N3O.C31H22N2O/c1-2-12-28(13-3-1)45-24-25-47-41-27-36-35(26-40(41)45)29-14-4-5-17-32(29)42-33(34-19-11-23-44-43(34)36)18-10-22-39(42)46-37-20-8-6-15-30(37)31-16-7-9-21-38(31)46;1-2-12-28(13-3-1)45-24-25-47-41-27-36-35(26-40(41)45)33-18-10-22-39(46-37-20-8-6-15-30(37)31-16-7-9-21-38(31)46)42(33)32-17-5-4-14-29(32)34-19-11-23-44-43(34)36;1-2-11-28(12-3-1)45-23-24-47-42-27-38-37(26-41(42)45)31-14-5-4-13-30(31)36-25-29(20-21-32(36)35-17-10-22-44-43(35)38)46-39-18-8-6-15-33(39)34-16-7-9-19-40(34)46;1-2-11-28(12-3-1)45-23-24-47-42-27-38-37(26-41(42)45)32-21-20-29(46-39-18-8-6-15-33(39)34-16-7-9-19-40(34)46)25-36(32)31-14-5-4-13-30(31)35-17-10-22-44-43(35)38;1-2-11-28(12-3-1)45-23-24-47-42-27-38-37(26-41(42)45)36-25-29(46-39-18-8-6-15-33(39)34-16-7-9-19-40(34)46)20-21-32(36)30-13-4-5-14-31(30)35-17-10-22-44-43(35)38;1-2-9-21(10-3-1)33-17-18-34-30-20-28-27(19-29(30)33)25-14-7-5-12-23(25)22-11-4-6-13-24(22)26-15-8-16-32-31(26)28/h2*1-23,26-27H,24-25H2;3*1-22,25-27H,23-24H2;1-16,19-20H,17-18H2/b34-33-,35-29-,42-32+,43-36+;34-29-,35-33-,42-32+,43-36+;35-32-,36-30-,37-31-,43-38+;35-30-,36-31-,37-32-,43-38+;32-30-,35-31-,37-36-,43-38+;23-22-,26-24-,27-25-,31-28+
InChIKeyAWGLWEFBBWTKSO-CONWMTTRSA-N
XLogP61.05
TPSA176.81 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds11
Heavy Atoms269
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003457.15
LogP ≤ 561.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 11-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;12-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;15-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;16-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;17-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene with MolForge

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Related Compounds

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Bis{mu-4'-[4-(quinolin-8-yloxymethyl)phenyl]-2,2':6',2''-terpyridine}disilver(I) bis(perchlorate) dimethylformamide disolvate
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hexazinc;hexakis(1-(8-phenylmethoxyquinolin-2-yl)-N,N-bis(pyridin-2-ylmethyl)methanamine);dodecaperchlorate
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bis[(2-methylquinolin-8-yl)oxy]-[4-[4-[3-phenyl-4-[2-phenyl-4-(6H-pyrido[2,1-a]isoindol-5-ium-9-yloxy)phenyl]phenoxy]phenyl]phenoxy]alumane
CID 58722708
4-[2-[[2',7'-Bis[2-methyl-4-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-6-(2-morpholin-4-ylethoxy)-9,9'-spirobi[fluorene]-3-yl]oxy]ethyl]morpholine
CID 59546664
2-Phenyl-11-[2-[2-(2-phenyl-4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaen-11-yl)-2-piperidin-1-ylethoxy]-1-piperidin-1-ylethyl]-4-oxa-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene
CID 70038095
5,10-Di(carbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene
CID 134428162
4,11-Di(carbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene
CID 134428163
6,9-Di(carbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene
CID 134428179
6-(3-Carbazol-9-ylcarbazol-9-yl)-26-phenyl-23-oxa-26-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene
CID 134428187

Frequently Asked Questions

What is the IUPAC name of 11-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;12-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;15-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;16-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;17-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene?
The IUPAC name of 11-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;12-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;15-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;16-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;17-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene (CID 157250316) is 11-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;12-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;15-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;16-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;17-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene.
What is the SMILES notation for 11-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;12-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;15-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;16-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;17-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene?
The canonical SMILES for 11-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;12-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;15-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;16-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;17-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene is c1ccc(N2CCOc3cc4c(cc32)-c2cc(-n3c5ccccc5c5ccccc53)ccc2-c2ccccc2-c2cccnc2-4)cc1.c1ccc(N2CCOc3cc4c(cc32)-c2ccc(-n3c5ccccc5c5ccccc53)cc2-c2ccccc2-c2cccnc2-4)cc1.c1ccc(N2CCOc3cc4c(cc32)-c2cccc(-n3c5ccccc5c5ccccc53)c2-c2ccccc2-c2cccnc2-4)cc1.c1ccc(N2CCOc3cc4c(cc32)-c2ccccc2-c2c(cccc2-n2c3ccccc3c3ccccc32)-c2cccnc2-4)cc1.c1ccc(N2CCOc3cc4c(cc32)-c2ccccc2-c2cc(-n3c5ccccc5c5ccccc53)ccc2-c2cccnc2-4)cc1.c1ccc(N2CCOc3cc4c(cc32)-c2ccccc2-c2ccccc2-c2cccnc2-4)cc1.
What is the InChIKey of 11-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;12-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;15-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;16-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;17-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene?
The InChIKey is AWGLWEFBBWTKSO-CONWMTTRSA-N. The full InChI is InChI=1S/5C43H29N3O.C31H22N2O/c1-2-12-28(13-3-1)45-24-25-47-41-27-36-35(26-40(41)45)29-14-4-5-17-32(29)42-33(34-19-11-23-44-43(34)36)18-10-22-39(42)46-37-20-8-6-15-30(37)31-16-7-9-21-38(31)46;1-2-12-28(13-3-1)45-24-25-47-41-27-36-35(26-40(41)45)33-18-10-22-39(46-37-20-8-6-15-30(37)31-16-7-9-21-38(31)46)42(33)32-17-5-4-14-29(32)34-19-11-23-44-43(34)36;1-2-11-28(12-3-1)45-23-24-47-42-27-38-37(26-41(42)45)31-14-5-4-13-30(31)36-25-29(20-21-32(36)35-17-10-22-44-43(35)38)46-39-18-8-6-15-33(39)34-16-7-9-19-40(34)46;1-2-11-28(12-3-1)45-23-24-47-42-27-38-37(26-41(42)45)32-21-20-29(46-39-18-8-6-15-33(39)34-16-7-9-19-40(34)46)25-36(32)31-14-5-4-13-30(31)35-17-10-22-44-43(35)38;1-2-11-28(12-3-1)45-23-24-47-42-27-38-37(26-41(42)45)36-25-29(46-39-18-8-6-15-33(39)34-16-7-9-19-40(34)46)20-21-32(36)30-13-4-5-14-31(30)35-17-10-22-44-43(35)38;1-2-9-21(10-3-1)33-17-18-34-30-20-28-27(19-29(30)33)25-14-7-5-12-23(25)22-11-4-6-13-24(22)26-15-8-16-32-31(26)28/h2*1-23,26-27H,24-25H2;3*1-22,25-27H,23-24H2;1-16,19-20H,17-18H2/b34-33-,35-29-,42-32+,43-36+;34-29-,35-33-,42-32+,43-36+;35-32-,36-30-,37-31-,43-38+;35-30-,36-31-,37-32-,43-38+;32-30-,35-31-,37-36-,43-38+;23-22-,26-24-,27-25-,31-28+.
What are the key properties of 11-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;12-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;15-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;16-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;17-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene?
11-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;12-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;15-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;16-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;17-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene has a molecular weight of 3457.15 g/mol, XLogP of 61.05, 11 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 11-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;12-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8(13),9,11,14,16,18,20,22(27)-dodecaene;15-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;16-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;17-carbazol-9-yl-23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14(19),15,17,20,22(27)-dodecaene;23-phenyl-26-oxa-3,23-diazahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2(7),3,5,8,10,12,14,16,18,20,22(27)-dodecaene is sourced from PubChem (CID 157250316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).