About 16-[4-(4-carbazol-9-ylphenyl)phenyl]-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene;23-phenyl-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene;23-(3-phenylphenyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene
16-[4-(4-carbazol-9-ylphenyl)phenyl]-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene;23-phenyl-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene;23-(3-phenylphenyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene (PubChem CID 159167380) has the molecular formula C115H73N5
and a molecular weight of 1524.88 g/mol. Its IUPAC name is 16-[4-(4-carbazol-9-ylphenyl)phenyl]-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene;23-phenyl-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene;23-(3-phenylphenyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene.
Frequently Asked Questions
What is the IUPAC name of 16-[4-(4-carbazol-9-ylphenyl)phenyl]-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene;23-phenyl-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene;23-(3-phenylphenyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene?
The IUPAC name of 16-[4-(4-carbazol-9-ylphenyl)phenyl]-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene;23-phenyl-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene;23-(3-phenylphenyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene (CID 159167380) is 16-[4-(4-carbazol-9-ylphenyl)phenyl]-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene;23-phenyl-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene;23-(3-phenylphenyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene.
What is the SMILES notation for 16-[4-(4-carbazol-9-ylphenyl)phenyl]-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene;23-phenyl-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene;23-(3-phenylphenyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene?
The canonical SMILES for 16-[4-(4-carbazol-9-ylphenyl)phenyl]-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene;23-phenyl-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene;23-(3-phenylphenyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene is c1ccc(-c2c3c4c(cccc4n2-c2ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc2)-c2ccccc2-c2ccccc2-3)nc1.c1ccc(-c2cccc(-n3cc4c5c(cccc53)-c3ccccc3-c3cc5ccccc5cc3-4)c2)cc1.c1ccc(-n2cc3c4c(cccc42)-c2ccccc2-c2cc4ccccc4cc2-3)cc1.
What is the InChIKey of 16-[4-(4-carbazol-9-ylphenyl)phenyl]-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene;23-phenyl-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene;23-(3-phenylphenyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene?
The InChIKey is KLGAEOALEDCYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3.C36H23N.C30H19N/c1-2-13-37-36(12-1)38-14-3-4-17-42(38)48-47-41(37)18-11-22-46(47)52(49(48)43-19-9-10-31-50-43)35-29-25-33(26-30-35)32-23-27-34(28-24-32)51-44-20-7-5-15-39(44)40-16-6-8-21-45(40)51;1-2-10-24(11-3-1)25-14-8-15-28(20-25)37-23-34-33-22-27-13-5-4-12-26(27)21-32(33)30-17-7-6-16-29(30)31-18-9-19-35(37)36(31)34;1-2-11-22(12-3-1)31-19-28-27-18-21-10-5-4-9-20(21)17-26(27)24-14-7-6-13-23(24)25-15-8-16-29(31)30(25)28/h1-31H;1-23H;1-19H.
What are the key properties of 16-[4-(4-carbazol-9-ylphenyl)phenyl]-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene;23-phenyl-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene;23-(3-phenylphenyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene?
16-[4-(4-carbazol-9-ylphenyl)phenyl]-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene;23-phenyl-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene;23-(3-phenylphenyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene has a molecular weight of 1524.88 g/mol, XLogP of 30.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[4-(4-carbazol-9-ylphenyl)phenyl]-15-pyridin-2-yl-16-azapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene;23-phenyl-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene;23-(3-phenylphenyl)-23-azahexacyclo[16.6.1.02,11.04,9.012,17.022,25]pentacosa-1(24),2,4,6,8,10,12,14,16,18(25),19,21-dodecaene is sourced from PubChem (CID 159167380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).