CID 158984135

C225H143N34OPt7S-9 — CID 158984135

IUPAC—
SMILESCN1C=CN(c2[c-]c3c(cc2)-c2cccnc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)[CH-]1.CN1C=NN(c2[c-]c3c(cc2)-c2cccnc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)[CH-]1.CN1[CH-]N(c2[c-]c3c(cc2)-c2cccnc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)C=N1.Cn1ccnc1-c1[c-]c2c(cc1)-c1cccnc1-c1ccccc1N2c1[c-]c(-c2ccccn2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3cc4ccccc4cn3)ccc2-c2ccncc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3ncco3)ccc2-c2cccnc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nccs3)ccc2-c2cccnc2-c2ccccc21
InChIInChI=1S/C37H22N4.C32H22N5.C32H21N5.2C31H21N6.C31H18N4O.C31H18N4S.7Pt/c1-2-9-28-23-40-35(21-25(28)8-1)27-15-16-32-30-17-19-38-24-33(30)31-12-3-4-14-36(31)41(37(32)22-27)29-11-7-10-26(20-29)34-13-5-6-18-39-34;1-35-18-19-36(22-35)24-14-15-26-27-11-7-17-34-32(27)28-10-2-3-13-30(28)37(31(26)21-24)25-9-6-8-23(20-25)29-12-4-5-16-33-29;1-36-19-18-35-32(36)23-14-15-25-26-11-7-17-34-31(26)27-10-2-3-13-29(27)37(30(25)21-23)24-9-6-8-22(20-24)28-12-4-5-16-33-28;1-35-21-36(20-34-35)23-14-15-25-26-11-7-17-33-31(26)27-10-2-3-13-29(27)37(30(25)19-23)24-9-6-8-22(18-24)28-12-4-5-16-32-28;1-35-20-34-36(21-35)23-14-15-25-26-11-7-17-33-31(26)27-10-2-3-13-29(27)37(30(25)19-23)24-9-6-8-22(18-24)28-12-4-5-16-32-28;2*1-2-12-28-26(9-1)30-25(10-6-16-33-30)24-14-13-22(31-34-17-18-36-31)20-29(24)35(28)23-8-5-7-21(19-23)27-11-3-4-15-32-27;;;;;;;/h1-19,21,23-24H;2-19,22H,1H3;2-19H,1H3;2*2-17,20-21H,1H3;2*1-18H;;;;;;;/q-2;-3;-2;2*-3;2*-2;;;;4*+2
InChIKeyZOQYHWKGTDHDBD-UHFFFAOYSA-N
MW4736.47 g/mol
LogP52.38
Rot. Bonds21

About CID 158984135

CID 158984135 (PubChem CID 158984135) has the molecular formula C225H143N34OPt7S-9 and a molecular weight of 4736.47 g/mol.

Molecular Properties

Compound NameCID 158984135
PubChem CID158984135
Molecular FormulaC225H143N34OPt7S-9
Molecular Weight4736.47 g/mol
Exact Mass4732.95
IUPAC Name—
SMILESCN1C=CN(c2[c-]c3c(cc2)-c2cccnc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)[CH-]1.CN1C=NN(c2[c-]c3c(cc2)-c2cccnc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)[CH-]1.CN1[CH-]N(c2[c-]c3c(cc2)-c2cccnc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)C=N1.Cn1ccnc1-c1[c-]c2c(cc1)-c1cccnc1-c1ccccc1N2c1[c-]c(-c2ccccn2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3cc4ccccc4cn3)ccc2-c2ccncc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3ncco3)ccc2-c2cccnc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nccs3)ccc2-c2cccnc2-c2ccccc21
InChIInChI=1S/C37H22N4.C32H22N5.C32H21N5.2C31H21N6.C31H18N4O.C31H18N4S.7Pt/c1-2-9-28-23-40-35(21-25(28)8-1)27-15-16-32-30-17-19-38-24-33(30)31-12-3-4-14-36(31)41(37(32)22-27)29-11-7-10-26(20-29)34-13-5-6-18-39-34;1-35-18-19-36(22-35)24-14-15-26-27-11-7-17-34-32(27)28-10-2-3-13-30(28)37(31(26)21-24)25-9-6-8-23(20-25)29-12-4-5-16-33-29;1-36-19-18-35-32(36)23-14-15-25-26-11-7-17-34-31(26)27-10-2-3-13-29(27)37(30(25)21-23)24-9-6-8-22(20-24)28-12-4-5-16-33-28;1-35-21-36(20-34-35)23-14-15-25-26-11-7-17-33-31(26)27-10-2-3-13-29(27)37(30(25)19-23)24-9-6-8-22(18-24)28-12-4-5-16-32-28;1-35-20-34-36(21-35)23-14-15-25-26-11-7-17-33-31(26)27-10-2-3-13-29(27)37(30(25)19-23)24-9-6-8-22(18-24)28-12-4-5-16-32-28;2*1-2-12-28-26(9-1)30-25(10-6-16-33-30)24-14-13-22(31-34-17-18-36-31)20-29(24)35(28)23-8-5-7-21(19-23)27-11-3-4-15-32-27;;;;;;;/h1-19,21,23-24H;2-19,22H,1H3;2-19H,1H3;2*2-17,20-21H,1H3;2*1-18H;;;;;;;/q-2;-3;-2;2*-3;2*-2;;;;4*+2
InChIKeyZOQYHWKGTDHDBD-UHFFFAOYSA-N
XLogP52.38
TPSA316.93 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds21
Heavy Atoms268
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004736.47
LogP ≤ 552.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

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Frequently Asked Questions

What is the IUPAC name of CID 158984135?
The IUPAC name of CID 158984135 (CID 158984135) is not available.
What is the SMILES notation for CID 158984135?
The canonical SMILES for CID 158984135 is CN1C=CN(c2[c-]c3c(cc2)-c2cccnc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)[CH-]1.CN1C=NN(c2[c-]c3c(cc2)-c2cccnc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)[CH-]1.CN1[CH-]N(c2[c-]c3c(cc2)-c2cccnc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)C=N1.Cn1ccnc1-c1[c-]c2c(cc1)-c1cccnc1-c1ccccc1N2c1[c-]c(-c2ccccn2)ccc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3cc4ccccc4cn3)ccc2-c2ccncc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3ncco3)ccc2-c2cccnc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nccs3)ccc2-c2cccnc2-c2ccccc21.
What is the InChIKey of CID 158984135?
The InChIKey is ZOQYHWKGTDHDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N4.C32H22N5.C32H21N5.2C31H21N6.C31H18N4O.C31H18N4S.7Pt/c1-2-9-28-23-40-35(21-25(28)8-1)27-15-16-32-30-17-19-38-24-33(30)31-12-3-4-14-36(31)41(37(32)22-27)29-11-7-10-26(20-29)34-13-5-6-18-39-34;1-35-18-19-36(22-35)24-14-15-26-27-11-7-17-34-32(27)28-10-2-3-13-30(28)37(31(26)21-24)25-9-6-8-23(20-25)29-12-4-5-16-33-29;1-36-19-18-35-32(36)23-14-15-25-26-11-7-17-34-31(26)27-10-2-3-13-29(27)37(30(25)21-23)24-9-6-8-22(20-24)28-12-4-5-16-33-28;1-35-21-36(20-34-35)23-14-15-25-26-11-7-17-33-31(26)27-10-2-3-13-29(27)37(30(25)19-23)24-9-6-8-22(18-24)28-12-4-5-16-32-28;1-35-20-34-36(21-35)23-14-15-25-26-11-7-17-33-31(26)27-10-2-3-13-29(27)37(30(25)19-23)24-9-6-8-22(18-24)28-12-4-5-16-32-28;2*1-2-12-28-26(9-1)30-25(10-6-16-33-30)24-14-13-22(31-34-17-18-36-31)20-29(24)35(28)23-8-5-7-21(19-23)27-11-3-4-15-32-27;;;;;;;/h1-19,21,23-24H;2-19,22H,1H3;2-19H,1H3;2*2-17,20-21H,1H3;2*1-18H;;;;;;;/q-2;-3;-2;2*-3;2*-2;;;;4*+2.
What are the key properties of CID 158984135?
CID 158984135 has a molecular weight of 4736.47 g/mol, XLogP of 52.38, 21 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158984135 is sourced from PubChem (CID 158984135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).