12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene-21-carbonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)benzonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)-3,5-dimethylbenzonitrile;21-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(2-methyl-5-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(9-phenylcarbazol-3-yl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene

C215H130N12 — CID 159439012

IUPAC12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene-21-carbonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)benzonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)-3,5-dimethylbenzonitrile;21-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(2-methyl-5-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(9-phenylcarbazol-3-yl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene
SMILESCc1cc(C#N)cc(C)c1-c1cc2c3ccccc3n3c4ccc5ccccc5c4c(c1)c23.Cc1cc2c3ccccc3n3c4ccc5ccccc5c4c(c1)c23.Cc1ccc(-c2ccccc2)cc1-c1cc2c3ccccc3n3c4ccc5ccccc5c4c(c1)c23.N#Cc1cc2c3ccccc3n3c4ccc5ccccc5c4c(c1)c23.N#Cc1ccc(-c2cc3c4ccccc4n4c5ccc6ccccc6c5c(c2)c34)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n6c7ccc8ccccc8c7c(c4)c56)ccc32)cc1.c1ccc2c(c1)ccc1c2c2cc(-n3c4ccccc4c4ccccc43)cc3c4ccccc4n1c32
InChIInChI=1S/C40H24N2.C35H23N.C34H20N2.C31H20N2.C29H16N2.C23H12N2.C23H15N/c1-2-11-28(12-3-1)41-35-16-8-6-14-30(35)32-22-26(19-20-37(32)41)27-23-33-31-15-7-9-17-36(31)42-38-21-18-25-10-4-5-13-29(25)39(38)34(24-27)40(33)42;1-22-15-16-25(23-9-3-2-4-10-23)19-29(22)26-20-30-28-13-7-8-14-32(28)36-33-18-17-24-11-5-6-12-27(24)34(33)31(21-26)35(30)36;1-2-10-23-21(9-1)17-18-32-33(23)28-20-22(19-27-26-13-5-8-16-31(26)36(32)34(27)28)35-29-14-6-3-11-24(29)25-12-4-7-15-30(25)35;1-18-13-20(17-32)14-19(2)29(18)22-15-25-24-9-5-6-10-27(24)33-28-12-11-21-7-3-4-8-23(21)30(28)26(16-22)31(25)33;30-17-18-9-11-19(12-10-18)21-15-24-23-7-3-4-8-26(23)31-27-14-13-20-5-1-2-6-22(20)28(27)25(16-21)29(24)31;24-13-14-11-18-17-7-3-4-8-20(17)25-21-10-9-15-5-1-2-6-16(15)22(21)19(12-14)23(18)25;1-14-12-18-17-8-4-5-9-20(17)24-21-11-10-15-6-2-3-7-16(15)22(21)19(13-14)23(18)24/h1-24H;2-21H,1H3;1-20H;3-16H,1-2H3;1-16H;1-12H;2-13H,1H3
InChIKeyLRXYHLUYLNTCLF-UHFFFAOYSA-N
MW2881.49 g/mol
LogP57.31
Rot. Bonds7

About 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene-21-carbonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)benzonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)-3,5-dimethylbenzonitrile;21-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(2-methyl-5-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(9-phenylcarbazol-3-yl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene

12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene-21-carbonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)benzonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)-3,5-dimethylbenzonitrile;21-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(2-methyl-5-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(9-phenylcarbazol-3-yl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene (PubChem CID 159439012) has the molecular formula C215H130N12 and a molecular weight of 2881.49 g/mol. Its IUPAC name is 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene-21-carbonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)benzonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)-3,5-dimethylbenzonitrile;21-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(2-methyl-5-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(9-phenylcarbazol-3-yl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene.

Molecular Properties

Compound Name12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene-21-carbonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)benzonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)-3,5-dimethylbenzonitrile;21-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(2-methyl-5-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(9-phenylcarbazol-3-yl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene
PubChem CID159439012
Molecular FormulaC215H130N12
Molecular Weight2881.49 g/mol
Exact Mass2879.05
IUPAC Name12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene-21-carbonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)benzonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)-3,5-dimethylbenzonitrile;21-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(2-methyl-5-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(9-phenylcarbazol-3-yl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene
SMILESCc1cc(C#N)cc(C)c1-c1cc2c3ccccc3n3c4ccc5ccccc5c4c(c1)c23.Cc1cc2c3ccccc3n3c4ccc5ccccc5c4c(c1)c23.Cc1ccc(-c2ccccc2)cc1-c1cc2c3ccccc3n3c4ccc5ccccc5c4c(c1)c23.N#Cc1cc2c3ccccc3n3c4ccc5ccccc5c4c(c1)c23.N#Cc1ccc(-c2cc3c4ccccc4n4c5ccc6ccccc6c5c(c2)c34)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n6c7ccc8ccccc8c7c(c4)c56)ccc32)cc1.c1ccc2c(c1)ccc1c2c2cc(-n3c4ccccc4c4ccccc43)cc3c4ccccc4n1c32
InChIInChI=1S/C40H24N2.C35H23N.C34H20N2.C31H20N2.C29H16N2.C23H12N2.C23H15N/c1-2-11-28(12-3-1)41-35-16-8-6-14-30(35)32-22-26(19-20-37(32)41)27-23-33-31-15-7-9-17-36(31)42-38-21-18-25-10-4-5-13-29(25)39(38)34(24-27)40(33)42;1-22-15-16-25(23-9-3-2-4-10-23)19-29(22)26-20-30-28-13-7-8-14-32(28)36-33-18-17-24-11-5-6-12-27(24)34(33)31(21-26)35(30)36;1-2-10-23-21(9-1)17-18-32-33(23)28-20-22(19-27-26-13-5-8-16-31(26)36(32)34(27)28)35-29-14-6-3-11-24(29)25-12-4-7-15-30(25)35;1-18-13-20(17-32)14-19(2)29(18)22-15-25-24-9-5-6-10-27(24)33-28-12-11-21-7-3-4-8-23(21)30(28)26(16-22)31(25)33;30-17-18-9-11-19(12-10-18)21-15-24-23-7-3-4-8-26(23)31-27-14-13-20-5-1-2-6-22(20)28(27)25(16-21)29(24)31;24-13-14-11-18-17-7-3-4-8-20(17)25-21-10-9-15-5-1-2-6-16(15)22(21)19(12-14)23(18)25;1-14-12-18-17-8-4-5-9-20(17)24-21-11-10-15-6-2-3-7-16(15)22(21)19(13-14)23(18)24/h1-24H;2-21H,1H3;1-20H;3-16H,1-2H3;1-16H;1-12H;2-13H,1H3
InChIKeyLRXYHLUYLNTCLF-UHFFFAOYSA-N
XLogP57.31
TPSA112.10 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002881.49
LogP ≤ 557.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene-21-carbonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)benzonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)-3,5-dimethylbenzonitrile;21-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(2-methyl-5-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(9-phenylcarbazol-3-yl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene with MolForge

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Related Compounds

3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
10-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118186364
9-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-6-(9-phenyl-6-triphenylsilylcarbazol-3-yl)carbazole-3-carbonitrile
CID 123547458
3-(4-methyl-3-phenylphenyl)-9-phenylcarbazole
CID 123587918
10-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118517626
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
5-[9-(2,6-dimethylphenyl)-3-(3,6-diphenylcarbazol-9-yl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 134598305
5,15-bis(3-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-10-carbonitrile
CID 134450401
5,15-di(carbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-10-carbonitrile
CID 134450403
3-carbazol-9-yl-9-[3-(2,4,6-triphenylphenyl)phenyl]carbazole;3,6-dimethyl-9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-3-yl]carbazole;9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164993566
9-[3-[3-(3-cyanophenyl)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 126610493

Frequently Asked Questions

What is the IUPAC name of 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene-21-carbonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)benzonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)-3,5-dimethylbenzonitrile;21-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(2-methyl-5-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(9-phenylcarbazol-3-yl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene?
The IUPAC name of 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene-21-carbonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)benzonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)-3,5-dimethylbenzonitrile;21-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(2-methyl-5-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(9-phenylcarbazol-3-yl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene (CID 159439012) is 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene-21-carbonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)benzonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)-3,5-dimethylbenzonitrile;21-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(2-methyl-5-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(9-phenylcarbazol-3-yl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene.
What is the SMILES notation for 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene-21-carbonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)benzonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)-3,5-dimethylbenzonitrile;21-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(2-methyl-5-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(9-phenylcarbazol-3-yl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene?
The canonical SMILES for 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene-21-carbonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)benzonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)-3,5-dimethylbenzonitrile;21-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(2-methyl-5-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(9-phenylcarbazol-3-yl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene is Cc1cc(C#N)cc(C)c1-c1cc2c3ccccc3n3c4ccc5ccccc5c4c(c1)c23.Cc1cc2c3ccccc3n3c4ccc5ccccc5c4c(c1)c23.Cc1ccc(-c2ccccc2)cc1-c1cc2c3ccccc3n3c4ccc5ccccc5c4c(c1)c23.N#Cc1cc2c3ccccc3n3c4ccc5ccccc5c4c(c1)c23.N#Cc1ccc(-c2cc3c4ccccc4n4c5ccc6ccccc6c5c(c2)c34)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6n6c7ccc8ccccc8c7c(c4)c56)ccc32)cc1.c1ccc2c(c1)ccc1c2c2cc(-n3c4ccccc4c4ccccc43)cc3c4ccccc4n1c32.
What is the InChIKey of 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene-21-carbonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)benzonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)-3,5-dimethylbenzonitrile;21-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(2-methyl-5-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(9-phenylcarbazol-3-yl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene?
The InChIKey is LRXYHLUYLNTCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2.C35H23N.C34H20N2.C31H20N2.C29H16N2.C23H12N2.C23H15N/c1-2-11-28(12-3-1)41-35-16-8-6-14-30(35)32-22-26(19-20-37(32)41)27-23-33-31-15-7-9-17-36(31)42-38-21-18-25-10-4-5-13-29(25)39(38)34(24-27)40(33)42;1-22-15-16-25(23-9-3-2-4-10-23)19-29(22)26-20-30-28-13-7-8-14-32(28)36-33-18-17-24-11-5-6-12-27(24)34(33)31(21-26)35(30)36;1-2-10-23-21(9-1)17-18-32-33(23)28-20-22(19-27-26-13-5-8-16-31(26)36(32)34(27)28)35-29-14-6-3-11-24(29)25-12-4-7-15-30(25)35;1-18-13-20(17-32)14-19(2)29(18)22-15-25-24-9-5-6-10-27(24)33-28-12-11-21-7-3-4-8-23(21)30(28)26(16-22)31(25)33;30-17-18-9-11-19(12-10-18)21-15-24-23-7-3-4-8-26(23)31-27-14-13-20-5-1-2-6-22(20)28(27)25(16-21)29(24)31;24-13-14-11-18-17-7-3-4-8-20(17)25-21-10-9-15-5-1-2-6-16(15)22(21)19(12-14)23(18)25;1-14-12-18-17-8-4-5-9-20(17)24-21-11-10-15-6-2-3-7-16(15)22(21)19(13-14)23(18)24/h1-24H;2-21H,1H3;1-20H;3-16H,1-2H3;1-16H;1-12H;2-13H,1H3.
What are the key properties of 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene-21-carbonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)benzonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)-3,5-dimethylbenzonitrile;21-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(2-methyl-5-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(9-phenylcarbazol-3-yl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene?
12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene-21-carbonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)benzonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)-3,5-dimethylbenzonitrile;21-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(2-methyl-5-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(9-phenylcarbazol-3-yl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene has a molecular weight of 2881.49 g/mol, XLogP of 57.31, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene-21-carbonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)benzonitrile;4-(12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaen-21-yl)-3,5-dimethylbenzonitrile;21-carbazol-9-yl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-methyl-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(2-methyl-5-phenylphenyl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene;21-(9-phenylcarbazol-3-yl)-12-azahexacyclo[10.10.1.02,11.03,8.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13,15,17,19(23),20-undecaene is sourced from PubChem (CID 159439012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).