CID 157107518

C238H144N31O2Pt7S-3 — CID 157107518

IUPAC—
SMILESCN1[CH-]N(c2[c-]c3c(cc2)-c2ncccc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)C=N1.Cn1c(-c2[c-]c3c(cc2)-c2cccnc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)nc2ccccc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3cc4ccccc4cn3)ccc2-c2cccnc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nc4ccccc4o3)ccc2-c2cccnc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nccc4ccccc34)ccc2-c2cccnc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3ncco3)ccc2-c2ncccc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nccs3)ccc2-c2ncccc2-c2ccccc21
InChIInChI=1S/2C37H22N4.C36H23N5.C35H20N4O.C31H21N6.C31H18N4O.C31H18N4S.7Pt/c1-2-12-29-25(9-1)19-22-40-36(29)27-17-18-30-31-14-8-21-39-37(31)32-13-3-4-16-34(32)41(35(30)24-27)28-11-7-10-26(23-28)33-15-5-6-20-38-33;1-2-10-28-24-40-34(22-25(28)9-1)27-17-18-30-31-14-8-20-39-37(31)32-13-3-4-16-35(32)41(36(30)23-27)29-12-7-11-26(21-29)33-15-5-6-19-38-33;1-40-33-17-5-3-15-31(33)39-36(40)25-18-19-27-28-13-9-21-38-35(28)29-12-2-4-16-32(29)41(34(27)23-25)26-11-8-10-24(22-26)30-14-6-7-20-37-30;1-3-15-31-28(11-1)34-27(12-8-20-37-34)26-18-17-24(35-38-30-14-2-4-16-33(30)40-35)22-32(26)39(31)25-10-7-9-23(21-25)29-13-5-6-19-36-29;1-35-21-36(20-34-35)23-14-15-27-30(19-23)37(24-9-6-8-22(18-24)28-12-4-5-16-32-28)29-13-3-2-10-25(29)26-11-7-17-33-31(26)27;2*1-2-12-28-24(9-1)25-10-6-16-33-30(25)26-14-13-22(31-34-17-18-36-31)20-29(26)35(28)23-8-5-7-21(19-23)27-11-3-4-15-32-27;;;;;;;/h1-22H;1-20,22,24H;2-21H,1H3;1-20H;2-17,20-21H,1H3;2*1-18H;;;;;;;/q4*-2;-3;2*-2;;6*+2
InChIKeyRGWRFHYORYRKEV-UHFFFAOYSA-N
MW4867.60 g/mol
LogP57.40
Rot. Bonds21

About CID 157107518

CID 157107518 (PubChem CID 157107518) has the molecular formula C238H144N31O2Pt7S-3 and a molecular weight of 4867.60 g/mol.

Molecular Properties

Compound NameCID 157107518
PubChem CID157107518
Molecular FormulaC238H144N31O2Pt7S-3
Molecular Weight4867.60 g/mol
Exact Mass4863.94
IUPAC Name—
SMILESCN1[CH-]N(c2[c-]c3c(cc2)-c2ncccc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)C=N1.Cn1c(-c2[c-]c3c(cc2)-c2cccnc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)nc2ccccc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3cc4ccccc4cn3)ccc2-c2cccnc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nc4ccccc4o3)ccc2-c2cccnc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nccc4ccccc34)ccc2-c2cccnc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3ncco3)ccc2-c2ncccc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nccs3)ccc2-c2ncccc2-c2ccccc21
InChIInChI=1S/2C37H22N4.C36H23N5.C35H20N4O.C31H21N6.C31H18N4O.C31H18N4S.7Pt/c1-2-12-29-25(9-1)19-22-40-36(29)27-17-18-30-31-14-8-21-39-37(31)32-13-3-4-16-34(32)41(35(30)24-27)28-11-7-10-26(23-28)33-15-5-6-20-38-33;1-2-10-28-24-40-34(22-25(28)9-1)27-17-18-30-31-14-8-20-39-37(31)32-13-3-4-16-35(32)41(36(30)23-27)29-12-7-11-26(21-29)33-15-5-6-19-38-33;1-40-33-17-5-3-15-31(33)39-36(40)25-18-19-27-28-13-9-21-38-35(28)29-12-2-4-16-32(29)41(34(27)23-25)26-11-8-10-24(22-26)30-14-6-7-20-37-30;1-3-15-31-28(11-1)34-27(12-8-20-37-34)26-18-17-24(35-38-30-14-2-4-16-33(30)40-35)22-32(26)39(31)25-10-7-9-23(21-25)29-13-5-6-19-36-29;1-35-21-36(20-34-35)23-14-15-27-30(19-23)37(24-9-6-8-22(18-24)28-12-4-5-16-32-28)29-13-3-2-10-25(29)26-11-7-17-33-31(26)27;2*1-2-12-28-24(9-1)25-10-6-16-33-30(25)26-14-13-22(31-34-17-18-36-31)20-29(26)35(28)23-8-5-7-21(19-23)27-11-3-4-15-32-27;;;;;;;/h1-22H;1-20,22,24H;2-21H,1H3;1-20H;2-17,20-21H,1H3;2*1-18H;;;;;;;/q4*-2;-3;2*-2;;6*+2
InChIKeyRGWRFHYORYRKEV-UHFFFAOYSA-N
XLogP57.40
TPSA330.53 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds21
Heavy Atoms279
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004867.60
LogP ≤ 557.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

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Frequently Asked Questions

What is the IUPAC name of CID 157107518?
The IUPAC name of CID 157107518 (CID 157107518) is not available.
What is the SMILES notation for CID 157107518?
The canonical SMILES for CID 157107518 is CN1[CH-]N(c2[c-]c3c(cc2)-c2ncccc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)C=N1.Cn1c(-c2[c-]c3c(cc2)-c2cccnc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)nc2ccccc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3cc4ccccc4cn3)ccc2-c2cccnc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nc4ccccc4o3)ccc2-c2cccnc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nccc4ccccc34)ccc2-c2cccnc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3ncco3)ccc2-c2ncccc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nccs3)ccc2-c2ncccc2-c2ccccc21.
What is the InChIKey of CID 157107518?
The InChIKey is RGWRFHYORYRKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H22N4.C36H23N5.C35H20N4O.C31H21N6.C31H18N4O.C31H18N4S.7Pt/c1-2-12-29-25(9-1)19-22-40-36(29)27-17-18-30-31-14-8-21-39-37(31)32-13-3-4-16-34(32)41(35(30)24-27)28-11-7-10-26(23-28)33-15-5-6-20-38-33;1-2-10-28-24-40-34(22-25(28)9-1)27-17-18-30-31-14-8-20-39-37(31)32-13-3-4-16-35(32)41(36(30)23-27)29-12-7-11-26(21-29)33-15-5-6-19-38-33;1-40-33-17-5-3-15-31(33)39-36(40)25-18-19-27-28-13-9-21-38-35(28)29-12-2-4-16-32(29)41(34(27)23-25)26-11-8-10-24(22-26)30-14-6-7-20-37-30;1-3-15-31-28(11-1)34-27(12-8-20-37-34)26-18-17-24(35-38-30-14-2-4-16-33(30)40-35)22-32(26)39(31)25-10-7-9-23(21-25)29-13-5-6-19-36-29;1-35-21-36(20-34-35)23-14-15-27-30(19-23)37(24-9-6-8-22(18-24)28-12-4-5-16-32-28)29-13-3-2-10-25(29)26-11-7-17-33-31(26)27;2*1-2-12-28-24(9-1)25-10-6-16-33-30(25)26-14-13-22(31-34-17-18-36-31)20-29(26)35(28)23-8-5-7-21(19-23)27-11-3-4-15-32-27;;;;;;;/h1-22H;1-20,22,24H;2-21H,1H3;1-20H;2-17,20-21H,1H3;2*1-18H;;;;;;;/q4*-2;-3;2*-2;;6*+2.
What are the key properties of CID 157107518?
CID 157107518 has a molecular weight of 4867.60 g/mol, XLogP of 57.40, 21 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157107518 is sourced from PubChem (CID 157107518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).