About 3-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N-diphenyl-4-(3-phenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-yl)aniline;3-(2,4-diphenylquinazolin-6-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N,3-triphenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-amine
3-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N-diphenyl-4-(3-phenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-yl)aniline;3-(2,4-diphenylquinazolin-6-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N,3-triphenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-amine (PubChem CID 159571241) has the molecular formula C170H104N10S
and a molecular weight of 2318.84 g/mol. Its IUPAC name is 3-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N-diphenyl-4-(3-phenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-yl)aniline;3-(2,4-diphenylquinazolin-6-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N,3-triphenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-amine.
Frequently Asked Questions
What is the IUPAC name of 3-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N-diphenyl-4-(3-phenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-yl)aniline;3-(2,4-diphenylquinazolin-6-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N,3-triphenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-amine?
The IUPAC name of 3-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N-diphenyl-4-(3-phenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-yl)aniline;3-(2,4-diphenylquinazolin-6-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N,3-triphenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-amine (CID 159571241) is 3-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N-diphenyl-4-(3-phenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-yl)aniline;3-(2,4-diphenylquinazolin-6-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N,3-triphenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-amine.
What is the SMILES notation for 3-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N-diphenyl-4-(3-phenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-yl)aniline;3-(2,4-diphenylquinazolin-6-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N,3-triphenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-amine?
The canonical SMILES for 3-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N-diphenyl-4-(3-phenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-yl)aniline;3-(2,4-diphenylquinazolin-6-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N,3-triphenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-amine is c1ccc(-c2nc(-c3ccccc3)c3cc(-n4c5ccccc5c5cc6c7c(cccc7c54)-c4ccccc4-6)ccc3n2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc5c6c(cccc6c3n4-c3ccccc3)-c3ccccc3-5)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc4c5c(cccc5c2n3-c2ccccc2)-c2ccccc2-4)cc1.c1ccc2c(c1)-c1cccc3c1c-2cc1c2ccccc2n(-c2nc(-c4cccc5c4sc4ccccc45)c4ccccc4n2)c31.
What is the InChIKey of 3-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N-diphenyl-4-(3-phenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-yl)aniline;3-(2,4-diphenylquinazolin-6-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N,3-triphenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-amine?
The InChIKey is MHVRHKUFQXHXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2.C42H23N3S.C42H25N3.C40H26N2/c1-4-13-33(14-5-1)47(34-15-6-2-7-16-34)36-26-23-31(24-27-36)32-25-28-44-41(29-32)43-30-42-38-20-11-10-19-37(38)39-21-12-22-40(45(39)42)46(43)48(44)35-17-8-3-9-18-35;1-2-12-25-24(11-1)28-16-9-18-31-38(28)33(25)23-34-26-13-4-7-21-36(26)45(40(31)34)42-43-35-20-6-3-15-30(35)39(44-42)32-19-10-17-29-27-14-5-8-22-37(27)46-41(29)32;1-3-12-26(13-4-1)40-36-24-28(22-23-37(36)43-42(44-40)27-14-5-2-6-15-27)45-38-21-10-9-18-31(38)35-25-34-30-17-8-7-16-29(30)32-19-11-20-33(39(32)34)41(35)45;1-4-13-27(14-5-1)41(28-15-6-2-7-16-28)30-23-24-38-35(25-30)37-26-36-32-20-11-10-19-31(32)33-21-12-22-34(39(33)36)40(37)42(38)29-17-8-3-9-18-29/h1-30H;1-23H;1-25H;1-26H.
What are the key properties of 3-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N-diphenyl-4-(3-phenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-yl)aniline;3-(2,4-diphenylquinazolin-6-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N,3-triphenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-amine?
3-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N-diphenyl-4-(3-phenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-yl)aniline;3-(2,4-diphenylquinazolin-6-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N,3-triphenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-amine has a molecular weight of 2318.84 g/mol, XLogP of 46.20, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-dibenzothiophen-4-ylquinazolin-2-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N-diphenyl-4-(3-phenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-yl)aniline;3-(2,4-diphenylquinazolin-6-yl)-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4,6,8,10,12(23),13,15,17,19,21-undecaene;N,N,3-triphenyl-3-azahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1,4(9),5,7,10,12(23),13,15,17,19,21-undecaen-7-amine is sourced from PubChem (CID 159571241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).