CID 157283060

C244H150N32OPt7S — CID 157283060

IUPAC—
SMILESCc1cc(C)n(-c2[c-]c3c(cc2)-c2ccncc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)n1.Cn1c(-c2[c-]c3c(cc2)-c2ccncc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)nc2ccccc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nc4ccccc4o3)ccc2-c2ccncc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nc4ccccc4s3)ccc2-c2ccncc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nccc4ccccc34)ccc2-c2ccncc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-n3cc(-c4ccccc4)cn3)ccc2-c2ccncc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-n3cccn3)ccc2-c2ccncc2-c2ccccc21
InChIInChI=1S/C37H23N5.C37H22N4.C36H23N5.C35H20N4O.C35H20N4S.C33H23N5.C31H19N5.7Pt/c1-2-9-26(10-3-1)28-23-40-41(25-28)29-16-17-33-31-18-20-38-24-34(31)32-13-4-5-15-36(32)42(37(33)22-29)30-12-8-11-27(21-30)35-14-6-7-19-39-35;1-2-11-29-25(8-1)17-21-40-37(29)27-15-16-32-30-18-20-38-24-33(30)31-12-3-4-14-35(31)41(36(32)23-27)28-10-7-9-26(22-28)34-13-5-6-19-39-34;1-40-34-15-5-3-13-32(34)39-36(40)25-16-17-29-27-18-20-37-23-30(27)28-11-2-4-14-33(28)41(35(29)22-25)26-10-8-9-24(21-26)31-12-6-7-19-38-31;2*1-3-13-32-27(10-1)29-22-36-19-17-26(29)28-16-15-24(35-38-31-12-2-4-14-34(31)40-35)21-33(28)39(32)25-9-7-8-23(20-25)30-11-5-6-18-37-30;1-22-18-23(2)38(36-22)26-13-14-29-27-15-17-34-21-30(27)28-10-3-4-12-32(28)37(33(29)20-26)25-9-7-8-24(19-25)31-11-5-6-16-35-31;1-2-11-30-26(9-1)28-21-32-17-14-25(28)27-13-12-23(35-18-6-16-34-35)20-31(27)36(30)24-8-5-7-22(19-24)29-10-3-4-15-33-29;;;;;;;/h1-20,23-25H;1-21,24H;2-20,23H,1H3;2*1-19,22H;3-18,21H,1-2H3;1-18,21H;;;;;;;/q7*-2;7*+2
InChIKeyFUEBKNZDBWPOLA-UHFFFAOYSA-N
MW4943.72 g/mol
LogP58.71
Rot. Bonds22

About CID 157283060

CID 157283060 (PubChem CID 157283060) has the molecular formula C244H150N32OPt7S and a molecular weight of 4943.72 g/mol.

Molecular Properties

Compound NameCID 157283060
PubChem CID157283060
Molecular FormulaC244H150N32OPt7S
Molecular Weight4943.72 g/mol
Exact Mass4939.99
IUPAC Name—
SMILESCc1cc(C)n(-c2[c-]c3c(cc2)-c2ccncc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)n1.Cn1c(-c2[c-]c3c(cc2)-c2ccncc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)nc2ccccc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nc4ccccc4o3)ccc2-c2ccncc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nc4ccccc4s3)ccc2-c2ccncc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nccc4ccccc34)ccc2-c2ccncc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-n3cc(-c4ccccc4)cn3)ccc2-c2ccncc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-n3cccn3)ccc2-c2ccncc2-c2ccccc21
InChIInChI=1S/C37H23N5.C37H22N4.C36H23N5.C35H20N4O.C35H20N4S.C33H23N5.C31H19N5.7Pt/c1-2-9-26(10-3-1)28-23-40-41(25-28)29-16-17-33-31-18-20-38-24-34(31)32-13-4-5-15-36(32)42(37(33)22-29)30-12-8-11-27(21-30)35-14-6-7-19-39-35;1-2-11-29-25(8-1)17-21-40-37(29)27-15-16-32-30-18-20-38-24-33(30)31-12-3-4-14-35(31)41(36(32)23-27)28-10-7-9-26(22-28)34-13-5-6-19-39-34;1-40-34-15-5-3-13-32(34)39-36(40)25-16-17-29-27-18-20-37-23-30(27)28-11-2-4-14-33(28)41(35(29)22-25)26-10-8-9-24(21-26)31-12-6-7-19-38-31;2*1-3-13-32-27(10-1)29-22-36-19-17-26(29)28-16-15-24(35-38-31-12-2-4-14-34(31)40-35)21-33(28)39(32)25-9-7-8-23(20-25)30-11-5-6-18-37-30;1-22-18-23(2)38(36-22)26-13-14-29-27-15-17-34-21-30(27)28-10-3-4-12-32(28)37(33(29)20-26)25-9-7-8-24(19-25)31-11-5-6-16-35-31;1-2-11-30-26(9-1)28-21-32-17-14-25(28)27-13-12-23(35-18-6-16-34-35)20-31(27)36(30)24-8-5-7-22(19-24)29-10-3-4-15-33-29;;;;;;;/h1-20,23-25H;1-21,24H;2-20,23H,1H3;2*1-19,22H;3-18,21H,1-2H3;1-18,21H;;;;;;;/q7*-2;7*+2
InChIKeyFUEBKNZDBWPOLA-UHFFFAOYSA-N
XLogP58.71
TPSA326.23 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds22
Heavy Atoms285
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004943.72
LogP ≤ 558.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

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Frequently Asked Questions

What is the IUPAC name of CID 157283060?
The IUPAC name of CID 157283060 (CID 157283060) is not available.
What is the SMILES notation for CID 157283060?
The canonical SMILES for CID 157283060 is Cc1cc(C)n(-c2[c-]c3c(cc2)-c2ccncc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)n1.Cn1c(-c2[c-]c3c(cc2)-c2ccncc2-c2ccccc2N3c2[c-]c(-c3ccccn3)ccc2)nc2ccccc21.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nc4ccccc4o3)ccc2-c2ccncc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nc4ccccc4s3)ccc2-c2ccncc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-c3nccc4ccccc34)ccc2-c2ccncc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-n3cc(-c4ccccc4)cn3)ccc2-c2ccncc2-c2ccccc21.[c-]1c(-c2ccccn2)cccc1N1c2[c-]c(-n3cccn3)ccc2-c2ccncc2-c2ccccc21.
What is the InChIKey of CID 157283060?
The InChIKey is FUEBKNZDBWPOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N5.C37H22N4.C36H23N5.C35H20N4O.C35H20N4S.C33H23N5.C31H19N5.7Pt/c1-2-9-26(10-3-1)28-23-40-41(25-28)29-16-17-33-31-18-20-38-24-34(31)32-13-4-5-15-36(32)42(37(33)22-29)30-12-8-11-27(21-30)35-14-6-7-19-39-35;1-2-11-29-25(8-1)17-21-40-37(29)27-15-16-32-30-18-20-38-24-33(30)31-12-3-4-14-35(31)41(36(32)23-27)28-10-7-9-26(22-28)34-13-5-6-19-39-34;1-40-34-15-5-3-13-32(34)39-36(40)25-16-17-29-27-18-20-37-23-30(27)28-11-2-4-14-33(28)41(35(29)22-25)26-10-8-9-24(21-26)31-12-6-7-19-38-31;2*1-3-13-32-27(10-1)29-22-36-19-17-26(29)28-16-15-24(35-38-31-12-2-4-14-34(31)40-35)21-33(28)39(32)25-9-7-8-23(20-25)30-11-5-6-18-37-30;1-22-18-23(2)38(36-22)26-13-14-29-27-15-17-34-21-30(27)28-10-3-4-12-32(28)37(33(29)20-26)25-9-7-8-24(19-25)31-11-5-6-16-35-31;1-2-11-30-26(9-1)28-21-32-17-14-25(28)27-13-12-23(35-18-6-16-34-35)20-31(27)36(30)24-8-5-7-22(19-24)29-10-3-4-15-33-29;;;;;;;/h1-20,23-25H;1-21,24H;2-20,23H,1H3;2*1-19,22H;3-18,21H,1-2H3;1-18,21H;;;;;;;/q7*-2;7*+2.
What are the key properties of CID 157283060?
CID 157283060 has a molecular weight of 4943.72 g/mol, XLogP of 58.71, 22 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157283060 is sourced from PubChem (CID 157283060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).