About 10-N-(1,3-benzoxazol-6-yl)-17-N-[3-(1,3-benzoxazol-2-yl)phenyl]-10-N,17-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,17-diamine;7-N-[3-(1,3-benzoxazol-2-yl)phenyl]-18-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,18-diamine;2-N,6-N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-2-N,6-N-diphenylnaphtho[2,3-b][1]benzothiole-2,6-diamine;3-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3-N,7-N-di(dibenzothiophen-2-yl)dibenzothiophene-3,7-diamine;N-phenyl-N-[7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzothiol-3-yl]-1,3-benzoxazol-5-amine
10-N-(1,3-benzoxazol-6-yl)-17-N-[3-(1,3-benzoxazol-2-yl)phenyl]-10-N,17-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,17-diamine;7-N-[3-(1,3-benzoxazol-2-yl)phenyl]-18-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,18-diamine;2-N,6-N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-2-N,6-N-diphenylnaphtho[2,3-b][1]benzothiole-2,6-diamine;3-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3-N,7-N-di(dibenzothiophen-2-yl)dibenzothiophene-3,7-diamine;N-phenyl-N-[7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzothiol-3-yl]-1,3-benzoxazol-5-amine (PubChem CID 164996644) has the molecular formula C273H169N19O7S9
and a molecular weight of 4116.08 g/mol. Its IUPAC name is 10-N-(1,3-benzoxazol-6-yl)-17-N-[3-(1,3-benzoxazol-2-yl)phenyl]-10-N,17-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,17-diamine;7-N-[3-(1,3-benzoxazol-2-yl)phenyl]-18-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,18-diamine;2-N,6-N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-2-N,6-N-diphenylnaphtho[2,3-b][1]benzothiole-2,6-diamine;3-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3-N,7-N-di(dibenzothiophen-2-yl)dibenzothiophene-3,7-diamine;N-phenyl-N-[7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzothiol-3-yl]-1,3-benzoxazol-5-amine.
Frequently Asked Questions
What is the IUPAC name of 10-N-(1,3-benzoxazol-6-yl)-17-N-[3-(1,3-benzoxazol-2-yl)phenyl]-10-N,17-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,17-diamine;7-N-[3-(1,3-benzoxazol-2-yl)phenyl]-18-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,18-diamine;2-N,6-N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-2-N,6-N-diphenylnaphtho[2,3-b][1]benzothiole-2,6-diamine;3-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3-N,7-N-di(dibenzothiophen-2-yl)dibenzothiophene-3,7-diamine;N-phenyl-N-[7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzothiol-3-yl]-1,3-benzoxazol-5-amine?
The IUPAC name of 10-N-(1,3-benzoxazol-6-yl)-17-N-[3-(1,3-benzoxazol-2-yl)phenyl]-10-N,17-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,17-diamine;7-N-[3-(1,3-benzoxazol-2-yl)phenyl]-18-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,18-diamine;2-N,6-N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-2-N,6-N-diphenylnaphtho[2,3-b][1]benzothiole-2,6-diamine;3-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3-N,7-N-di(dibenzothiophen-2-yl)dibenzothiophene-3,7-diamine;N-phenyl-N-[7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzothiol-3-yl]-1,3-benzoxazol-5-amine (CID 164996644) is 10-N-(1,3-benzoxazol-6-yl)-17-N-[3-(1,3-benzoxazol-2-yl)phenyl]-10-N,17-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,17-diamine;7-N-[3-(1,3-benzoxazol-2-yl)phenyl]-18-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,18-diamine;2-N,6-N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-2-N,6-N-diphenylnaphtho[2,3-b][1]benzothiole-2,6-diamine;3-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3-N,7-N-di(dibenzothiophen-2-yl)dibenzothiophene-3,7-diamine;N-phenyl-N-[7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzothiol-3-yl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 10-N-(1,3-benzoxazol-6-yl)-17-N-[3-(1,3-benzoxazol-2-yl)phenyl]-10-N,17-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,17-diamine;7-N-[3-(1,3-benzoxazol-2-yl)phenyl]-18-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,18-diamine;2-N,6-N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-2-N,6-N-diphenylnaphtho[2,3-b][1]benzothiole-2,6-diamine;3-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3-N,7-N-di(dibenzothiophen-2-yl)dibenzothiophene-3,7-diamine;N-phenyl-N-[7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzothiol-3-yl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 10-N-(1,3-benzoxazol-6-yl)-17-N-[3-(1,3-benzoxazol-2-yl)phenyl]-10-N,17-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,17-diamine;7-N-[3-(1,3-benzoxazol-2-yl)phenyl]-18-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,18-diamine;2-N,6-N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-2-N,6-N-diphenylnaphtho[2,3-b][1]benzothiole-2,6-diamine;3-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3-N,7-N-di(dibenzothiophen-2-yl)dibenzothiophene-3,7-diamine;N-phenyl-N-[7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzothiol-3-yl]-1,3-benzoxazol-5-amine is c1ccc(N(c2cccc(-c3nc4ccccc4o3)c2)c2ccc3cc4c(cc3c2)sc2c(N(c3ccccc3)c3ccc5ncoc5c3)cc3ccccc3c24)cc1.c1ccc(N(c2cccc(-c3nc4ccccc4o3)c2)c2ccc3cc4c(cc3c2)sc2c3cccc(N(c5ccccc5)c5ccc(-c6nc7ccccc7o6)cc5)c3ccc42)cc1.c1ccc(N(c2cccc(-c3nc4ccccc4s3)c2)c2ccc3sc4c(N(c5ccccc5)c5cccc(-c6nc7ccccc7s6)c5)c5ccccc5cc4c3c2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cccc4sc5c6ccc(N(c7ccccc7)c7ccc8ocnc8c7)cc6ccc5c34)cc2)cc1.c1ccc2oc(-c3ccc(N(c4ccc5c(c4)sc4cc(N(c6ccc(-c7nc8ccccc8o7)cc6)c6ccc7sc8ccccc8c7c6)ccc45)c4ccc5sc6ccccc6c5c4)cc3)nc2c1.
What is the InChIKey of 10-N-(1,3-benzoxazol-6-yl)-17-N-[3-(1,3-benzoxazol-2-yl)phenyl]-10-N,17-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,17-diamine;7-N-[3-(1,3-benzoxazol-2-yl)phenyl]-18-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,18-diamine;2-N,6-N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-2-N,6-N-diphenylnaphtho[2,3-b][1]benzothiole-2,6-diamine;3-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3-N,7-N-di(dibenzothiophen-2-yl)dibenzothiophene-3,7-diamine;N-phenyl-N-[7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzothiol-3-yl]-1,3-benzoxazol-5-amine?
The InChIKey is HQLRLHIPPMJVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N4O2S3.C58H36N4O2S.C54H34N4S3.C52H32N4O2S.C47H31N3OS/c1-7-15-55-45(9-1)49-33-41(27-31-57(49)69-55)65(39-21-17-37(18-22-39)61-63-51-11-3-5-13-53(51)67-61)43-25-29-47-48-30-26-44(36-60(48)71-59(47)35-43)66(42-28-32-58-50(34-42)46-10-2-8-16-56(46)70-58)40-23-19-38(20-24-40)62-64-52-12-4-6-14-54(52)68-62;1-3-14-41(15-4-1)61(44-18-11-13-39(33-44)58-60-51-21-8-10-24-54(51)64-58)45-30-27-38-35-49-48-32-31-46-47(56(48)65-55(49)36-40(38)34-45)19-12-22-52(46)62(42-16-5-2-6-17-42)43-28-25-37(26-29-43)57-59-50-20-7-9-23-53(50)63-57;1-3-18-38(19-4-1)57(40-22-13-16-36(31-40)53-55-46-25-9-11-27-49(46)60-53)42-29-30-48-44(34-42)45-33-35-15-7-8-24-43(35)51(52(45)59-48)58(39-20-5-2-6-21-39)41-23-14-17-37(32-41)54-56-47-26-10-12-28-50(47)61-54;1-3-14-37(15-4-1)55(39-18-11-13-35(26-39)52-54-45-20-9-10-21-47(45)58-52)40-23-22-33-28-43-49(30-36(33)27-40)59-51-46(29-34-12-7-8-19-42(34)50(43)51)56(38-16-5-2-6-17-38)41-24-25-44-48(31-41)57-32-53-44;1-4-11-34(12-5-1)49(35-13-6-2-7-14-35)37-22-19-32(20-23-37)40-17-10-18-45-46(40)42-26-21-33-29-38(24-27-41(33)47(42)52-45)50(36-15-8-3-9-16-36)39-25-28-44-43(30-39)48-31-51-44/h1-36H;1-36H;1-34H;1-32H;1-31H.
What are the key properties of 10-N-(1,3-benzoxazol-6-yl)-17-N-[3-(1,3-benzoxazol-2-yl)phenyl]-10-N,17-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,17-diamine;7-N-[3-(1,3-benzoxazol-2-yl)phenyl]-18-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,18-diamine;2-N,6-N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-2-N,6-N-diphenylnaphtho[2,3-b][1]benzothiole-2,6-diamine;3-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3-N,7-N-di(dibenzothiophen-2-yl)dibenzothiophene-3,7-diamine;N-phenyl-N-[7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzothiol-3-yl]-1,3-benzoxazol-5-amine?
10-N-(1,3-benzoxazol-6-yl)-17-N-[3-(1,3-benzoxazol-2-yl)phenyl]-10-N,17-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,17-diamine;7-N-[3-(1,3-benzoxazol-2-yl)phenyl]-18-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,18-diamine;2-N,6-N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-2-N,6-N-diphenylnaphtho[2,3-b][1]benzothiole-2,6-diamine;3-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3-N,7-N-di(dibenzothiophen-2-yl)dibenzothiophene-3,7-diamine;N-phenyl-N-[7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzothiol-3-yl]-1,3-benzoxazol-5-amine has a molecular weight of 4116.08 g/mol, XLogP of 82.17, 38 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 10-N-(1,3-benzoxazol-6-yl)-17-N-[3-(1,3-benzoxazol-2-yl)phenyl]-10-N,17-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-10,17-diamine;7-N-[3-(1,3-benzoxazol-2-yl)phenyl]-18-N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-N,18-N-diphenyl-12-thiapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene-7,18-diamine;2-N,6-N-bis[3-(1,3-benzothiazol-2-yl)phenyl]-2-N,6-N-diphenylnaphtho[2,3-b][1]benzothiole-2,6-diamine;3-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3-N,7-N-di(dibenzothiophen-2-yl)dibenzothiophene-3,7-diamine;N-phenyl-N-[7-[4-(N-phenylanilino)phenyl]naphtho[1,2-b][1]benzothiol-3-yl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 164996644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).