CID 160608296

C239H161N29O9Pt8-6 — CID 160608296

IUPAC—
SMILESCN1C=NN(c2[c-]c3c(cc2)OCc2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)[CH-]1.CN1[CH-]N(c2[c-]c3c(cc2)OCc2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)C=N1.Cn1c(-c2[c-]c3c(cc2)COc2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)nc2ccccc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3cc4ccccc4cn3)ccc2COc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nc4ccccc4o3)ccc2COc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nccc4ccccc34)ccc2COc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(C3=NC=CC3)ccc2OCc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(C3=NC=CC3)ccc2OCc2ccccc21
InChIInChI=1S/2C33H21N3O.C32H22N4O.C31H19N3O2.2C28H19N3O.2C27H20N5O.8Pt/c1-2-11-28-23(8-1)17-19-35-33(28)25-15-16-26-22-37-32-14-4-3-13-30(32)36(31(26)21-25)27-10-7-9-24(20-27)29-12-5-6-18-34-29;1-2-9-26-21-35-30(19-23(26)8-1)25-15-16-27-22-37-33-14-4-3-13-31(33)36(32(27)20-25)28-11-7-10-24(18-28)29-12-5-6-17-34-29;1-35-28-13-3-2-12-27(28)34-32(35)23-16-17-24-21-37-31-15-5-4-14-29(31)36(30(24)20-23)25-10-8-9-22(19-25)26-11-6-7-18-33-26;1-3-13-29-26(11-1)33-31(36-29)22-15-16-23-20-35-30-14-4-2-12-27(30)34(28(23)19-22)24-9-7-8-21(18-24)25-10-5-6-17-32-25;2*1-2-12-26-22(7-1)19-32-28-14-13-21(25-11-6-16-30-25)18-27(28)31(26)23-9-5-8-20(17-23)24-10-3-4-15-29-24;1-30-19-31(18-29-30)22-12-13-27-26(16-22)32(25-11-3-2-7-21(25)17-33-27)23-9-6-8-20(15-23)24-10-4-5-14-28-24;1-30-18-29-31(19-30)22-12-13-27-26(16-22)32(25-11-3-2-7-21(25)17-33-27)23-9-6-8-20(15-23)24-10-4-5-14-28-24;;;;;;;;/h1-19H,22H2;1-17,19,21H,22H2;2-18H,21H2,1H3;1-17H,20H2;2*1-10,12-16H,11,19H2;2*2-14,18-19H,17H2,1H3;;;;;;;;/q6*-2;2*-3;;;6*+2
InChIKeyKGLKXQYJWDHXFI-UHFFFAOYSA-N
MW5143.74 g/mol
LogP54.50
Rot. Bonds24

About CID 160608296

CID 160608296 (PubChem CID 160608296) has the molecular formula C239H161N29O9Pt8-6 and a molecular weight of 5143.74 g/mol.

Molecular Properties

Compound NameCID 160608296
PubChem CID160608296
Molecular FormulaC239H161N29O9Pt8-6
Molecular Weight5143.74 g/mol
Exact Mass5140.02
IUPAC Name—
SMILESCN1C=NN(c2[c-]c3c(cc2)OCc2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)[CH-]1.CN1[CH-]N(c2[c-]c3c(cc2)OCc2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)C=N1.Cn1c(-c2[c-]c3c(cc2)COc2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)nc2ccccc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3cc4ccccc4cn3)ccc2COc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nc4ccccc4o3)ccc2COc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nccc4ccccc34)ccc2COc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(C3=NC=CC3)ccc2OCc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(C3=NC=CC3)ccc2OCc2ccccc21
InChIInChI=1S/2C33H21N3O.C32H22N4O.C31H19N3O2.2C28H19N3O.2C27H20N5O.8Pt/c1-2-11-28-23(8-1)17-19-35-33(28)25-15-16-26-22-37-32-14-4-3-13-30(32)36(31(26)21-25)27-10-7-9-24(20-27)29-12-5-6-18-34-29;1-2-9-26-21-35-30(19-23(26)8-1)25-15-16-27-22-37-33-14-4-3-13-31(33)36(32(27)20-25)28-11-7-10-24(18-28)29-12-5-6-17-34-29;1-35-28-13-3-2-12-27(28)34-32(35)23-16-17-24-21-37-31-15-5-4-14-29(31)36(30(24)20-23)25-10-8-9-22(19-25)26-11-6-7-18-33-26;1-3-13-29-26(11-1)33-31(36-29)22-15-16-23-20-35-30-14-4-2-12-27(30)34(28(23)19-22)24-9-7-8-21(18-24)25-10-5-6-17-32-25;2*1-2-12-26-22(7-1)19-32-28-14-13-21(25-11-6-16-30-25)18-27(28)31(26)23-9-5-8-20(17-23)24-10-3-4-15-29-24;1-30-19-31(18-29-30)22-12-13-27-26(16-22)32(25-11-3-2-7-21(25)17-33-27)23-9-6-8-20(15-23)24-10-4-5-14-28-24;1-30-18-29-31(19-30)22-12-13-27-26(16-22)32(25-11-3-2-7-21(25)17-33-27)23-9-6-8-20(15-23)24-10-4-5-14-28-24;;;;;;;;/h1-19H,22H2;1-17,19,21H,22H2;2-18H,21H2,1H3;1-17H,20H2;2*1-10,12-16H,11,19H2;2*2-14,18-19H,17H2,1H3;;;;;;;;/q6*-2;2*-3;;;6*+2
InChIKeyKGLKXQYJWDHXFI-UHFFFAOYSA-N
XLogP54.50
TPSA334.91 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds24
Heavy Atoms285
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005143.74
LogP ≤ 554.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

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Related Compounds

CID 163585877
CID 163585877
9-(3,5-dimethylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(3H-indol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(1-methylimidazol-2-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;9-(4-methylpyrazol-1-yl)-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide;pentakis(platinum(2+));9-pyrazol-1-yl-11-(3-pyridin-2-ylbenzene-2-id-1-yl)-6,10-dihydrobenzo[c][1,5]benzoxazepin-10-ide
CID 163665950
2-isoquinolin-1-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;2-isoquinolin-3-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide;11-(9-phenyl-1H-carbazol-1-id-2-yl)-2-quinolin-2-yl-1H-benzo[b][1]benzazepin-1-ide;platinum;tris(platinum(2+));2-pyridin-2-yl-11-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)-1H-benzo[b][1]benzazepin-1-ide
CID 159726041
CID 158752543
CID 158752543
3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]isoquinoline;1-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]isoquinoline;3-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]isoquinoline;6-(4-tert-butyl-2-pyridinyl)-8-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-7H-quinolin-7-ide;2-[3-[[4-(4-tert-butyl-2-pyridinyl)-3H-naphthalen-3-id-2-yl]oxy]benzene-2-id-1-yl]-1-methylbenzimidazole;pentakis(platinum(2+))
CID 158430680
tris(platinum(2+));2-[6-pyridin-2-yl-9-[3-(5-pyridin-2-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;2-[9-[2-pyridin-2-yl-5-(5-pyridin-2-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyridin-2-yl-2-[6-pyridin-2-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole
CID 159479270
tris(platinum(2+));2-[9-[2-pyrazol-1-yl-5-(5-pyrazol-1-yl-2-pyridinyl)benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;5-pyrazol-1-yl-2-[6-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-pyrazol-1-yl-2-[6-pyrazol-1-yl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole
CID 157466843
2-[9-[2-(furan-2-yl)-5-[5-(furan-2-yl)-2-pyridinyl]benzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;5-(furan-2-yl)-2-[6-(furan-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-(furan-2-yl)-2-[6-(furan-2-yl)-9-(3-pyridin-2-ylbenzene-2-id-1-yl)-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;6-(furan-2-yl)-2-[9-[3-(furan-2-yl)-5-pyridin-2-ylbenzene-6-id-1-yl]-1H-carbazol-1-id-2-yl]-1,3-benzoxazole;tetrakis(platinum(2+))
CID 160816747
10-[3-(4-carbazol-9-ylpyrazol-1-yl)benzene-2-id-1-yl]-2-pyrazol-1-yl-1H-phenoxazin-1-ide;10-[3-(4-carbazol-9-ylpyrazol-1-yl)benzene-2-id-1-yl]-2-pyridin-2-yl-1H-phenoxazin-1-ide;2-(4-carbazol-9-ylpyrazol-1-yl)-10-(3-pyrazol-1-ylbenzene-2-id-1-yl)-1H-phenoxazin-1-ide;tris(platinum(2+))
CID 159260208
CID 163560290
CID 163560290
2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-yl-4-pyridin-3-ylbenzene-2-id-1-yl)-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-[3-(3-pyridin-3-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;2-(1-methylbenzimidazol-2-yl)-9-[3-(4-pyridin-3-yl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;tris(platinum(2+))
CID 159606434
2-(1-methylbenzimidazol-2-yl)-9-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
CID 153285522

Frequently Asked Questions

What is the IUPAC name of CID 160608296?
The IUPAC name of CID 160608296 (CID 160608296) is not available.
What is the SMILES notation for CID 160608296?
The canonical SMILES for CID 160608296 is CN1C=NN(c2[c-]c3c(cc2)OCc2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)[CH-]1.CN1[CH-]N(c2[c-]c3c(cc2)OCc2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)C=N1.Cn1c(-c2[c-]c3c(cc2)COc2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)nc2ccccc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3cc4ccccc4cn3)ccc2COc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nc4ccccc4o3)ccc2COc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nccc4ccccc34)ccc2COc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(C3=NC=CC3)ccc2OCc2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(C3=NC=CC3)ccc2OCc2ccccc21.
What is the InChIKey of CID 160608296?
The InChIKey is KGLKXQYJWDHXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H21N3O.C32H22N4O.C31H19N3O2.2C28H19N3O.2C27H20N5O.8Pt/c1-2-11-28-23(8-1)17-19-35-33(28)25-15-16-26-22-37-32-14-4-3-13-30(32)36(31(26)21-25)27-10-7-9-24(20-27)29-12-5-6-18-34-29;1-2-9-26-21-35-30(19-23(26)8-1)25-15-16-27-22-37-33-14-4-3-13-31(33)36(32(27)20-25)28-11-7-10-24(18-28)29-12-5-6-17-34-29;1-35-28-13-3-2-12-27(28)34-32(35)23-16-17-24-21-37-31-15-5-4-14-29(31)36(30(24)20-23)25-10-8-9-22(19-25)26-11-6-7-18-33-26;1-3-13-29-26(11-1)33-31(36-29)22-15-16-23-20-35-30-14-4-2-12-27(30)34(28(23)19-22)24-9-7-8-21(18-24)25-10-5-6-17-32-25;2*1-2-12-26-22(7-1)19-32-28-14-13-21(25-11-6-16-30-25)18-27(28)31(26)23-9-5-8-20(17-23)24-10-3-4-15-29-24;1-30-19-31(18-29-30)22-12-13-27-26(16-22)32(25-11-3-2-7-21(25)17-33-27)23-9-6-8-20(15-23)24-10-4-5-14-28-24;1-30-18-29-31(19-30)22-12-13-27-26(16-22)32(25-11-3-2-7-21(25)17-33-27)23-9-6-8-20(15-23)24-10-4-5-14-28-24;;;;;;;;/h1-19H,22H2;1-17,19,21H,22H2;2-18H,21H2,1H3;1-17H,20H2;2*1-10,12-16H,11,19H2;2*2-14,18-19H,17H2,1H3;;;;;;;;/q6*-2;2*-3;;;6*+2.
What are the key properties of CID 160608296?
CID 160608296 has a molecular weight of 5143.74 g/mol, XLogP of 54.50, 24 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160608296 is sourced from PubChem (CID 160608296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).