About 3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;tetrakis(iridium);1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide
3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;tetrakis(iridium);1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide (PubChem CID 160715352) has the molecular formula C132H94Ir4N25OPS-4
and a molecular weight of 2878.29 g/mol. Its IUPAC name is 3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;tetrakis(iridium);1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide.
Frequently Asked Questions
What is the IUPAC name of 3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;tetrakis(iridium);1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide?
The IUPAC name of 3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;tetrakis(iridium);1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide (CID 160715352) is 3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;tetrakis(iridium);1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide.
What is the SMILES notation for 3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;tetrakis(iridium);1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide?
The canonical SMILES for 3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;tetrakis(iridium);1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide is CC(=[N-])C1CCCc2cc3c4ccccc4n(-c4nc5c(-c6ccccn6)cccc5o4)c3nc21.CN1CCN(c2ccccn2)c2nc3n(c21)N(C)CCN3c1ccc2cccc(-c3[c-]cc4ccccc4c3)c2n1.Cn1c(-p2ccc3ccc(-n4c5ccccc5c5cc6c(nc54)C(n4ncc5ccccc54)c4ccccc4-6)nc32)[c-]c2ccccc21.[Ir].[Ir].[Ir].[Ir].[c-]1cc2ccccc2n1-c1cccc(-n2c3ccccc3n3c4scc(-c5ccccn5)c4nc23)n1.
What is the InChIKey of 3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;tetrakis(iridium);1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide?
The InChIKey is SFJVLFXUCMIRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N6P.C33H29N8.C29H17N6S.C29H22N5O.4Ir/c1-45-33-15-7-2-10-26(33)22-37(45)48-21-20-25-18-19-36(43-41(25)48)46-35-17-9-6-13-29(35)32-23-31-28-12-4-5-14-30(28)39(38(31)44-40(32)46)47-34-16-8-3-11-27(34)24-42-47;1-37-18-20-39(28-12-5-6-17-34-28)31-32(37)41-33(36-31)40(21-19-38(41)2)29-16-15-24-10-7-11-27(30(24)35-29)26-14-13-23-8-3-4-9-25(23)22-26;1-2-10-22-19(8-1)15-17-33(22)25-13-7-14-26(31-25)34-23-11-3-4-12-24(23)35-28-27(32-29(34)35)20(18-36-28)21-9-5-6-16-30-21;1-17(30)19-10-6-8-18-16-22-20-9-2-3-13-24(20)34(28(22)32-26(18)19)29-33-27-21(11-7-14-25(27)35-29)23-12-4-5-15-31-23;;;;/h2-21,23-24,39H,1H3;3-13,15-17,22H,18-21H2,1-2H3;1-16,18H;2-5,7,9,11-16,19H,6,8,10H2,1H3;;;;/q4*-1;;;;.
What are the key properties of 3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;tetrakis(iridium);1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide?
3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;tetrakis(iridium);1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide has a molecular weight of 2878.29 g/mol, XLogP of 29.23, 12 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3,13-dimethyl-10-[8-(3H-naphthalen-3-id-2-yl)quinolin-2-yl]-6-pyridin-2-yl-1,3,6,8,10,13-hexazatricyclo[7.4.0.02,7]trideca-2(7),8-diene;2-(14-indazol-1-yl-10,12-diazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-10-yl)-7-(1-methyl-3H-indol-3-id-2-yl)phospholo[2,3-b]pyridine;8-[6-(2H-indol-2-id-1-yl)-2-pyridinyl]-12-pyridin-2-yl-14-thia-1,8,10-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,11(15),12-hexaene;tetrakis(iridium);1-[6-(4-pyridin-2-yl-1,3-benzoxazol-2-yl)-1,2,3,4-tetrahydroindolo[2,3-b]quinolin-4-yl]ethylideneazanide is sourced from PubChem (CID 160715352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).