CID 160192457

C403H415F3Ir8N40O9Si8-16 — CID 160192457

IUPAC8-(3-benzyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(3-tert-butyl-4,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[3-(4-tert-butylphenyl)-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;octakis(iridium);8-(3-methylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-8-(4-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(6-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane

SMILESCCN1C2=C(C=CN=C2C(C)C)N=C1C3=[C-]C=CC4=C3OC5=C4C=CC(=N5)C.CC1=C[C-]=C(C=C1)C2=NC=C(C(=C2)CC(C)C)[Si](C)(C)C.CC1=C(C(=CC=C1)C)C2=NC3=C(C=C2)C4=C(O3)C(=[C-]C=C4)C5=NC6=CC(=NC=C6N5CC7=CC=CC=C7)C(C)C.CC1=C(C(=CC=C1)C)C2=NC3=C(C=C2)C4=C(C=[C-]C(=C4O3)C5=NC6=C(N5C7=CC=C(C=C7)C(C)(C)C)C=NC(=C6)C)C.CC1=C2C3=C(N=CC=C3)OC2=C([C-]=C1)C4=NC5=C(N4C(C)(C)C)C(=NC(=C5)C)C.CC1=C2C3=C(N=C(C=C3)C4=CC=CC=C4)OC2=C([C-]=C1)C5=NC6=C(N5C(C)C)C(=NC=C6)C.CC1=CC2=C(C=N1)N(C(=N2)C3=[C-]C=CC4=C3OC5=C4C=CC(=N5)C6=CC=CC=C6)C7=CC=CC=C7.CC1=CC2=C(C=N1)N(C(=N2)C3=[C-]C=CC4=C3OC5=C4C=CC(=N5)C(F)(F)F)C6=C(C=CC=C6C(C)C)C(C)C.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=[C-]C=C(C=C2)C3CCCCC3.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=[C-]C=C(C=C2)C(C)(C)C.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=CC3=C(CCCC3)C=[C-]2.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=CC3=CC=CC=C3C=[C-]2.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=[C-]C=CC3=C2CCCC3.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=[C-]C=CC3=CC=CC=C32.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=[C-]C=CC3=C2OC4=CC=CC=C34.CN1C2=C(C=CN=C2)N=C1C3=[C-]C=CC4=C3OC5=C4C=CC=N5.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]

InChIInChI=1S/C37H33N4O.C35H29N4O.C31H26F3N4O.C30H19N4O.C28H23N4O.C24H23N4O.C24H26NOSi.C24H34NSi.C23H21N4O.C22H30NSi.C22H26NSi.C22H30NSi.C22H26NSi.C22H32NSi.C19H26NSi.C18H11N4O.8Ir/c1-21-9-8-10-22(2)32(21)29-18-17-27-33-23(3)11-16-28(34(33)42-36(27)40-29)35-39-30-19-24(4)38-20-31(30)41(35)26-14-12-25(13-15-26)37(5,6)7;1-21(2)29-18-30-31(19-36-29)39(20-24-12-6-5-7-13-24)34(37-30)27-15-9-14-25-26-16-17-28(38-35(26)40-33(25)27)32-22(3)10-8-11-23(32)4;1-16(2)19-8-6-9-20(17(3)4)27(19)38-25-15-35-18(5)14-24(25)36-29(38)23-11-7-10-21-22-12-13-26(31(32,33)34)37-30(22)39-28(21)23;1-19-17-26-27(18-31-19)34(21-11-6-3-7-12-21)29(32-26)24-14-8-13-22-23-15-16-25(20-9-4-2-5-10-20)33-30(23)35-28(22)24;1-16(2)32-25-18(4)29-15-14-23(25)30-27(32)21-11-10-17(3)24-20-12-13-22(19-8-6-5-7-9-19)31-28(20)33-26(21)24;1-13-9-10-17(21-19(13)16-8-7-11-25-23(16)29-21)22-27-18-12-14(2)26-15(3)20(18)28(22)24(4,5)6;1-16(2)13-17-14-21(25-15-23(17)27(3,4)5)20-11-8-10-19-18-9-6-7-12-22(18)26-24(19)20;1-18(2)15-22-16-23(25-17-24(22)26(3,4)5)21-13-11-20(12-14-21)19-9-7-6-8-10-19;1-5-27-20-18(11-12-24-19(20)13(2)3)26-22(27)17-8-6-7-15-16-10-9-14(4)25-23(16)28-21(15)17;2*1-16(2)13-18-14-21(23-15-22(18)24(3,4)5)20-12-8-10-17-9-6-7-11-19(17)20;2*1-16(2)12-20-14-21(23-15-22(20)24(3,4)5)19-11-10-17-8-6-7-9-18(17)13-19;1-16(2)13-18-14-20(23-15-21(18)24(6,7)8)17-9-11-19(12-10-17)22(3,4)5;1-14(2)11-17-12-18(16-9-7-15(3)8-10-16)20-13-19(17)21(4,5)6;1-22-15-10-19-9-7-14(15)21-17(22)13-5-2-4-11-12-6-3-8-20-18(12)23-16(11)13;;;;;;;;/h8-15,17-20H,1-7H3;5-14,16-19,21H,20H2,1-4H3;6-10,12-17H,1-5H3;2-13,15-18H,1H3;5-10,12-16H,1-4H3;7-9,11-12H,1-6H3;6-10,12,14-16H,13H2,1-5H3;11-13,16-19H,6-10,15H2,1-5H3;6-7,9-13H,5H2,1-4H3;8,10,14-16H,6-7,9,11,13H2,1-5H3;6-11,14-16H,13H2,1-5H3;10,13-16H,6-9,12H2,1-5H3;6-10,13-16H,12H2,1-5H3;9,11-12,14-16H,13H2,1-8H3;7-9,12-14H,11H2,1-6H3;2-4,6-10H,1H3;;;;;;;;/q16*-1;;;;;;;;

InChIKeyURGUPBKDKJIUHX-UHFFFAOYSA-N

MW7782.00 g/mol

LogP—

Rot. Bonds43

About CID 160192457

CID 160192457 (PubChem CID 160192457) has the molecular formula C403H415F3Ir8N40O9Si8-16 and a molecular weight of 7782.00 g/mol. Its IUPAC name is 8-(3-benzyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(3-tert-butyl-4,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[3-(4-tert-butylphenyl)-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;octakis(iridium);8-(3-methylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-8-(4-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(6-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane.

Molecular Properties

Compound Name	CID 160192457
PubChem CID	160192457
Molecular Formula	C403H415F3Ir8N40O9Si8-16
Molecular Weight	7782.00 g/mol
Exact Mass	7780.85
IUPAC Name	8-(3-benzyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(3-tert-butyl-4,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[3-(4-tert-butylphenyl)-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;octakis(iridium);8-(3-methylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-8-(4-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(6-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane
SMILES	CCN1C2=C(C=CN=C2C(C)C)N=C1C3=[C-]C=CC4=C3OC5=C4C=CC(=N5)C.CC1=C[C-]=C(C=C1)C2=NC=C(C(=C2)CC(C)C)[Si](C)(C)C.CC1=C(C(=CC=C1)C)C2=NC3=C(C=C2)C4=C(O3)C(=[C-]C=C4)C5=NC6=CC(=NC=C6N5CC7=CC=CC=C7)C(C)C.CC1=C(C(=CC=C1)C)C2=NC3=C(C=C2)C4=C(C=[C-]C(=C4O3)C5=NC6=C(N5C7=CC=C(C=C7)C(C)(C)C)C=NC(=C6)C)C.CC1=C2C3=C(N=CC=C3)OC2=C([C-]=C1)C4=NC5=C(N4C(C)(C)C)C(=NC(=C5)C)C.CC1=C2C3=C(N=C(C=C3)C4=CC=CC=C4)OC2=C([C-]=C1)C5=NC6=C(N5C(C)C)C(=NC=C6)C.CC1=CC2=C(C=N1)N(C(=N2)C3=[C-]C=CC4=C3OC5=C4C=CC(=N5)C6=CC=CC=C6)C7=CC=CC=C7.CC1=CC2=C(C=N1)N(C(=N2)C3=[C-]C=CC4=C3OC5=C4C=CC(=N5)C(F)(F)F)C6=C(C=CC=C6C(C)C)C(C)C.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=[C-]C=C(C=C2)C3CCCCC3.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=[C-]C=C(C=C2)C(C)(C)C.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=CC3=C(CCCC3)C=[C-]2.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=CC3=CC=CC=C3C=[C-]2.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=[C-]C=CC3=C2CCCC3.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=[C-]C=CC3=CC=CC=C32.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=[C-]C=CC3=C2OC4=CC=CC=C34.CN1C2=C(C=CN=C2)N=C1C3=[C-]C=CC4=C3OC5=C4C=CC=N5.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChI	InChI=1S/C37H33N4O.C35H29N4O.C31H26F3N4O.C30H19N4O.C28H23N4O.C24H23N4O.C24H26NOSi.C24H34NSi.C23H21N4O.C22H30NSi.C22H26NSi.C22H30NSi.C22H26NSi.C22H32NSi.C19H26NSi.C18H11N4O.8Ir/c1-21-9-8-10-22(2)32(21)29-18-17-27-33-23(3)11-16-28(34(33)42-36(27)40-29)35-39-30-19-24(4)38-20-31(30)41(35)26-14-12-25(13-15-26)37(5,6)7;1-21(2)29-18-30-31(19-36-29)39(20-24-12-6-5-7-13-24)34(37-30)27-15-9-14-25-26-16-17-28(38-35(26)40-33(25)27)32-22(3)10-8-11-23(32)4;1-16(2)19-8-6-9-20(17(3)4)27(19)38-25-15-35-18(5)14-24(25)36-29(38)23-11-7-10-21-22-12-13-26(31(32,33)34)37-30(22)39-28(21)23;1-19-17-26-27(18-31-19)34(21-11-6-3-7-12-21)29(32-26)24-14-8-13-22-23-15-16-25(20-9-4-2-5-10-20)33-30(23)35-28(22)24;1-16(2)32-25-18(4)29-15-14-23(25)30-27(32)21-11-10-17(3)24-20-12-13-22(19-8-6-5-7-9-19)31-28(20)33-26(21)24;1-13-9-10-17(21-19(13)16-8-7-11-25-23(16)29-21)22-27-18-12-14(2)26-15(3)20(18)28(22)24(4,5)6;1-16(2)13-17-14-21(25-15-23(17)27(3,4)5)20-11-8-10-19-18-9-6-7-12-22(18)26-24(19)20;1-18(2)15-22-16-23(25-17-24(22)26(3,4)5)21-13-11-20(12-14-21)19-9-7-6-8-10-19;1-5-27-20-18(11-12-24-19(20)13(2)3)26-22(27)17-8-6-7-15-16-10-9-14(4)25-23(16)28-21(15)17;21-16(2)13-18-14-21(23-15-22(18)24(3,4)5)20-12-8-10-17-9-6-7-11-19(17)20;21-16(2)12-20-14-21(23-15-22(20)24(3,4)5)19-11-10-17-8-6-7-9-18(17)13-19;1-16(2)13-18-14-20(23-15-21(18)24(6,7)8)17-9-11-19(12-10-17)22(3,4)5;1-14(2)11-17-12-18(16-9-7-15(3)8-10-16)20-13-19(17)21(4,5)6;1-22-15-10-19-9-7-14(15)21-17(22)13-5-2-4-11-12-6-3-8-20-18(12)23-16(11)13;;;;;;;;/h8-15,17-20H,1-7H3;5-14,16-19,21H,20H2,1-4H3;6-10,12-17H,1-5H3;2-13,15-18H,1H3;5-10,12-16H,1-4H3;7-9,11-12H,1-6H3;6-10,12,14-16H,13H2,1-5H3;11-13,16-19H,6-10,15H2,1-5H3;6-7,9-13H,5H2,1-4H3;8,10,14-16H,6-7,9,11,13H2,1-5H3;6-11,14-16H,13H2,1-5H3;10,13-16H,6-9,12H2,1-5H3;6-10,13-16H,12H2,1-5H3;9,11-12,14-16H,13H2,1-8H3;7-9,12-14H,11H2,1-6H3;2-4,6-10H,1H3;;;;;;;;/q16*-1;;;;;;;;
InChIKey	URGUPBKDKJIUHX-UHFFFAOYSA-N
XLogP	—
TPSA	558.00 Å²
H-Bond Donors
H-Bond Acceptors	60
Rotatable Bonds	43
Heavy Atoms	471
Complexity	12700

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	7782.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	60

Related Compounds

Frequently Asked Questions

What is the IUPAC name of CID 160192457?

The IUPAC name of CID 160192457 (CID 160192457) is 8-(3-benzyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-(2,6-dimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(3-tert-butyl-4,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[3-(4-tert-butylphenyl)-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(2,6-dimethylphenyl)-5-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(4-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-[3-[2,6-di(propan-2-yl)phenyl]-6-methylimidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(3-ethyl-4-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;octakis(iridium);8-(3-methylimidazo[4,5-c]pyridin-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;5-methyl-8-(4-methyl-3-propan-2-ylimidazo[4,5-c]pyridin-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-(6-methyl-3-phenylimidazo[4,5-c]pyridin-2-yl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]silane.

What is the SMILES notation for CID 160192457?

The canonical SMILES for CID 160192457 is CCN1C2=C(C=CN=C2C(C)C)N=C1C3=[C-]C=CC4=C3OC5=C4C=CC(=N5)C.CC1=C[C-]=C(C=C1)C2=NC=C(C(=C2)CC(C)C)[Si](C)(C)C.CC1=C(C(=CC=C1)C)C2=NC3=C(C=C2)C4=C(O3)C(=[C-]C=C4)C5=NC6=CC(=NC=C6N5CC7=CC=CC=C7)C(C)C.CC1=C(C(=CC=C1)C)C2=NC3=C(C=C2)C4=C(C=[C-]C(=C4O3)C5=NC6=C(N5C7=CC=C(C=C7)C(C)(C)C)C=NC(=C6)C)C.CC1=C2C3=C(N=CC=C3)OC2=C([C-]=C1)C4=NC5=C(N4C(C)(C)C)C(=NC(=C5)C)C.CC1=C2C3=C(N=C(C=C3)C4=CC=CC=C4)OC2=C([C-]=C1)C5=NC6=C(N5C(C)C)C(=NC=C6)C.CC1=CC2=C(C=N1)N(C(=N2)C3=[C-]C=CC4=C3OC5=C4C=CC(=N5)C6=CC=CC=C6)C7=CC=CC=C7.CC1=CC2=C(C=N1)N(C(=N2)C3=[C-]C=CC4=C3OC5=C4C=CC(=N5)C(F)(F)F)C6=C(C=CC=C6C(C)C)C(C)C.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=[C-]C=C(C=C2)C3CCCCC3.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=[C-]C=C(C=C2)C(C)(C)C.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=CC3=C(CCCC3)C=[C-]2.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=CC3=CC=CC=C3C=[C-]2.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=[C-]C=CC3=C2CCCC3.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=[C-]C=CC3=CC=CC=C32.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=[C-]C=CC3=C2OC4=CC=CC=C34.CN1C2=C(C=CN=C2)N=C1C3=[C-]C=CC4=C3OC5=C4C=CC=N5.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of CID 160192457?

The InChIKey is URGUPBKDKJIUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N4O.C35H29N4O.C31H26F3N4O.C30H19N4O.C28H23N4O.C24H23N4O.C24H26NOSi.C24H34NSi.C23H21N4O.C22H30NSi.C22H26NSi.C22H30NSi.C22H26NSi.C22H32NSi.C19H26NSi.C18H11N4O.8Ir/c1-21-9-8-10-22(2)32(21)29-18-17-27-33-23(3)11-16-28(34(33)42-36(27)40-29)35-39-30-19-24(4)38-20-31(30)41(35)26-14-12-25(13-15-26)37(5,6)7;1-21(2)29-18-30-31(19-36-29)39(20-24-12-6-5-7-13-24)34(37-30)27-15-9-14-25-26-16-17-28(38-35(26)40-33(25)27)32-22(3)10-8-11-23(32)4;1-16(2)19-8-6-9-20(17(3)4)27(19)38-25-15-35-18(5)14-24(25)36-29(38)23-11-7-10-21-22-12-13-26(31(32,33)34)37-30(22)39-28(21)23;1-19-17-26-27(18-31-19)34(21-11-6-3-7-12-21)29(32-26)24-14-8-13-22-23-15-16-25(20-9-4-2-5-10-20)33-30(23)35-28(22)24;1-16(2)32-25-18(4)29-15-14-23(25)30-27(32)21-11-10-17(3)24-20-12-13-22(19-8-6-5-7-9-19)31-28(20)33-26(21)24;1-13-9-10-17(21-19(13)16-8-7-11-25-23(16)29-21)22-27-18-12-14(2)26-15(3)20(18)28(22)24(4,5)6;1-16(2)13-17-14-21(25-15-23(17)27(3,4)5)20-11-8-10-19-18-9-6-7-12-22(18)26-24(19)20;1-18(2)15-22-16-23(25-17-24(22)26(3,4)5)21-13-11-20(12-14-21)19-9-7-6-8-10-19;1-5-27-20-18(11-12-24-19(20)13(2)3)26-22(27)17-8-6-7-15-16-10-9-14(4)25-23(16)28-21(15)17;2*1-16(2)13-18-14-21(23-15-22(18)24(3,4)5)20-12-8-10-17-9-6-7-11-19(17)20;2*1-16(2)12-20-14-21(23-15-22(20)24(3,4)5)19-11-10-17-8-6-7-9-18(17)13-19;1-16(2)13-18-14-20(23-15-21(18)24(6,7)8)17-9-11-19(12-10-17)22(3,4)5;1-14(2)11-17-12-18(16-9-7-15(3)8-10-16)20-13-19(17)21(4,5)6;1-22-15-10-19-9-7-14(15)21-17(22)13-5-2-4-11-12-6-3-8-20-18(12)23-16(11)13;;;;;;;;/h8-15,17-20H,1-7H3;5-14,16-19,21H,20H2,1-4H3;6-10,12-17H,1-5H3;2-13,15-18H,1H3;5-10,12-16H,1-4H3;7-9,11-12H,1-6H3;6-10,12,14-16H,13H2,1-5H3;11-13,16-19H,6-10,15H2,1-5H3;6-7,9-13H,5H2,1-4H3;8,10,14-16H,6-7,9,11,13H2,1-5H3;6-11,14-16H,13H2,1-5H3;10,13-16H,6-9,12H2,1-5H3;6-10,13-16H,12H2,1-5H3;9,11-12,14-16H,13H2,1-8H3;7-9,12-14H,11H2,1-6H3;2-4,6-10H,1H3;;;;;;;;/q16*-1;;;;;;;;.

What are the key properties of CID 160192457?

CID 160192457 has a molecular weight of 7782.00 g/mol, XLogP of not available, 43 rotatable bonds, 0 hydrogen bond donors, and 60 hydrogen bond acceptors.

Where does this data come from?

All data for CID 160192457 is sourced from PubChem (CID 160192457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Structure

Quick Facts

FormulaC403H415F3Ir8N40O9Si8-16

Weight7782.00

LogP—

TPSA558.00

SMILES

CCN1C2=C(C=CN=C2C(C)C)N=C1C3=[C-]C=CC4=C3OC5=C4C=CC(=N5)C.CC1=C[C-]=C(C=C1)C2=NC=C(C(=C2)CC(C)C)[Si](C)(C)C.CC1=C(C(=CC=C1)C)C2=NC3=C(C=C2)C4=C(O3)C(=[C-]C=C4)C5=NC6=CC(=NC=C6N5CC7=CC=CC=C7)C(C)C.CC1=C(C(=CC=C1)C)C2=NC3=C(C=C2)C4=C(C=[C-]C(=C4O3)C5=NC6=C(N5C7=CC=C(C=C7)C(C)(C)C)C=NC(=C6)C)C.CC1=C2C3=C(N=CC=C3)OC2=C([C-]=C1)C4=NC5=C(N4C(C)(C)C)C(=NC(=C5)C)C.CC1=C2C3=C(N=C(C=C3)C4=CC=CC=C4)OC2=C([C-]=C1)C5=NC6=C(N5C(C)C)C(=NC=C6)C.CC1=CC2=C(C=N1)N(C(=N2)C3=[C-]C=CC4=C3OC5=C4C=CC(=N5)C6=CC=CC=C6)C7=CC=CC=C7.CC1=CC2=C(C=N1)N(C(=N2)C3=[C-]C=CC4=C3OC5=C4C=CC(=N5)C(F)(F)F)C6=C(C=CC=C6C(C)C)C(C)C.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=[C-]C=C(C=C2)C3CCCCC3.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=[C-]C=C(C=C2)C(C)(C)C.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=CC3=C(CCCC3)C=[C-]2.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=CC3=CC=CC=C3C=[C-]2.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=[C-]C=CC3=C2CCCC3.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=[C-]C=CC3=CC=CC=C32.CC(C)CC1=CC(=NC=C1[Si](C)(C)C)C2=[C-]C=CC3=C2OC4=CC=CC=C34.CN1C2=C(C=CN=C2)N=C1C3=[C-]C=CC4=C3OC5=C4C=CC=N5.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]

CID 160192457

About CID 160192457

Molecular Properties

Lipinski Rule of Five

Analyze CID 160192457 with MolForge

Related Compounds

Frequently Asked Questions