CID 160841188

C207H119N28O15Pt5-15 — CID 160841188

IUPAC—

SMILESCN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)n3c5ccccc5nc3n4-c3ccccn3)c3oc4c(ccc5c6ccccc6oc54)c3c2)[CH-]1.CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)n3c5ccccc5nc3n4-c3ccccn3)c3oc4c(ccc5oc6ccccc6c54)c3c2)[CH-]1.CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)n3c5ccccc5nc3n4-c3ccccn3)c3oc4ccc5oc6ccccc6c5c4c3c2)[CH-]1.CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)c3oc4ccc5oc6ccccc6c5c4c3c2)c2ccccc21.CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)n3c5ccccc5nc3n4-c3ccccn3)c3oc4ccc5c6ccccc6oc5c4c3c2)c2ccccc21.[Pt].[Pt].[Pt].[Pt].[Pt]

InChIInChI=1S/C44H25N6O3.C43H25N4O3.3C40H23N6O3.5Pt/c1-47-25-48(34-14-6-5-13-33(34)47)26-22-30-41-38(20-18-29-28-10-2-7-15-37(28)52-43(29)41)53-42(30)39(23-26)51-27-17-19-35-36(24-27)50(40-16-8-9-21-45-40)44-46-31-11-3-4-12-32(31)49(35)44;1-45-25-46(34-14-6-5-13-33(34)45)26-22-31-42-38(20-19-37-41(42)30-11-3-7-15-36(30)49-37)50-43(31)39(23-26)48-27-17-18-29-28-10-2-4-12-32(28)47(35(29)24-27)40-16-8-9-21-44-40;1-43-18-19-44(23-43)24-20-29-28-15-14-27-26-8-2-5-11-34(26)48-38(27)39(28)49-37(29)35(21-24)47-25-13-16-32-33(22-25)46(36-12-6-7-17-41-36)40-42-30-9-3-4-10-31(30)45(32)40;1-43-18-19-44(23-43)24-20-28-26-14-16-34-37(27-8-2-5-11-33(27)48-34)39(26)49-38(28)35(21-24)47-25-13-15-31-32(22-25)46(36-12-6-7-17-41-36)40-42-29-9-3-4-10-30(29)45(31)40;1-43-18-19-44(23-43)24-20-27-38-34(16-15-33-37(38)26-8-2-5-11-32(26)48-33)49-39(27)35(21-24)47-25-13-14-30-31(22-25)46(36-12-6-7-17-41-36)40-42-28-9-3-4-10-29(28)45(30)40;;;;;/h2-22,25H,1H3;2-22,25H,1H3;3*2-20,23H,1H3;;;;;/q5*-3;;;;;

InChIKeyPAMNHRSFIDTMLB-UHFFFAOYSA-N

MW4213.80 g/mol

LogP49.87

Rot. Bonds20

About CID 160841188

CID 160841188 (PubChem CID 160841188) has the molecular formula C207H119N28O15Pt5-15 and a molecular weight of 4213.80 g/mol.

Molecular Properties

Compound Name	CID 160841188
PubChem CID	160841188
Molecular Formula	C207H119N28O15Pt5-15
Molecular Weight	4213.80 g/mol
Exact Mass	4210.77
IUPAC Name	—
SMILES	CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)n3c5ccccc5nc3n4-c3ccccn3)c3oc4c(ccc5c6ccccc6oc54)c3c2)[CH-]1.CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)n3c5ccccc5nc3n4-c3ccccn3)c3oc4c(ccc5oc6ccccc6c54)c3c2)[CH-]1.CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)n3c5ccccc5nc3n4-c3ccccn3)c3oc4ccc5oc6ccccc6c5c4c3c2)[CH-]1.CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)c3oc4ccc5oc6ccccc6c5c4c3c2)c2ccccc21.CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)n3c5ccccc5nc3n4-c3ccccn3)c3oc4ccc5c6ccccc6oc5c4c3c2)c2ccccc21.[Pt].[Pt].[Pt].[Pt].[Pt]
InChI	InChI=1S/C44H25N6O3.C43H25N4O3.3C40H23N6O3.5Pt/c1-47-25-48(34-14-6-5-13-33(34)47)26-22-30-41-38(20-18-29-28-10-2-7-15-37(28)52-43(29)41)53-42(30)39(23-26)51-27-17-19-35-36(24-27)50(40-16-8-9-21-45-40)44-46-31-11-3-4-12-32(31)49(35)44;1-45-25-46(34-14-6-5-13-33(34)45)26-22-31-42-38(20-19-37-41(42)30-11-3-7-15-36(30)49-37)50-43(31)39(23-26)48-27-17-18-29-28-10-2-4-12-32(28)47(35(29)24-27)40-16-8-9-21-44-40;1-43-18-19-44(23-43)24-20-29-28-15-14-27-26-8-2-5-11-34(26)48-38(27)39(28)49-37(29)35(21-24)47-25-13-16-32-33(22-25)46(36-12-6-7-17-41-36)40-42-30-9-3-4-10-31(30)45(32)40;1-43-18-19-44(23-43)24-20-28-26-14-16-34-37(27-8-2-5-11-33(27)48-34)39(26)49-38(28)35(21-24)47-25-13-15-31-32(22-25)46(36-12-6-7-17-41-36)40-42-29-9-3-4-10-30(29)45(31)40;1-43-18-19-44(23-43)24-20-27-38-34(16-15-33-37(38)26-8-2-5-11-32(26)48-33)49-39(27)35(21-24)47-25-13-14-30-31(22-25)46(36-12-6-7-17-41-36)40-42-28-9-3-4-10-29(28)45(30)40;;;;;/h2-22,25H,1H3;2-22,25H,1H3;32-20,23H,1H3;;;;;/q5-3;;;;;
InChIKey	PAMNHRSFIDTMLB-UHFFFAOYSA-N
XLogP	49.87
TPSA	368.25 Å²
H-Bond Donors
H-Bond Acceptors	43
Rotatable Bonds	20
Heavy Atoms	255
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4213.80
LogP ≤ 5	49.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of CID 160841188?

The IUPAC name of CID 160841188 (CID 160841188) is not available.

What is the SMILES notation for CID 160841188?

The canonical SMILES for CID 160841188 is CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)n3c5ccccc5nc3n4-c3ccccn3)c3oc4c(ccc5c6ccccc6oc54)c3c2)[CH-]1.CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)n3c5ccccc5nc3n4-c3ccccn3)c3oc4c(ccc5oc6ccccc6c54)c3c2)[CH-]1.CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)n3c5ccccc5nc3n4-c3ccccn3)c3oc4ccc5oc6ccccc6c5c4c3c2)[CH-]1.CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)c3oc4ccc5oc6ccccc6c5c4c3c2)c2ccccc21.CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)n3c5ccccc5nc3n4-c3ccccn3)c3oc4ccc5c6ccccc6oc5c4c3c2)c2ccccc21.[Pt].[Pt].[Pt].[Pt].[Pt].

What is the InChIKey of CID 160841188?

The InChIKey is PAMNHRSFIDTMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N6O3.C43H25N4O3.3C40H23N6O3.5Pt/c1-47-25-48(34-14-6-5-13-33(34)47)26-22-30-41-38(20-18-29-28-10-2-7-15-37(28)52-43(29)41)53-42(30)39(23-26)51-27-17-19-35-36(24-27)50(40-16-8-9-21-45-40)44-46-31-11-3-4-12-32(31)49(35)44;1-45-25-46(34-14-6-5-13-33(34)45)26-22-31-42-38(20-19-37-41(42)30-11-3-7-15-36(30)49-37)50-43(31)39(23-26)48-27-17-18-29-28-10-2-4-12-32(28)47(35(29)24-27)40-16-8-9-21-44-40;1-43-18-19-44(23-43)24-20-29-28-15-14-27-26-8-2-5-11-34(26)48-38(27)39(28)49-37(29)35(21-24)47-25-13-16-32-33(22-25)46(36-12-6-7-17-41-36)40-42-30-9-3-4-10-31(30)45(32)40;1-43-18-19-44(23-43)24-20-28-26-14-16-34-37(27-8-2-5-11-33(27)48-34)39(26)49-38(28)35(21-24)47-25-13-15-31-32(22-25)46(36-12-6-7-17-41-36)40-42-29-9-3-4-10-30(29)45(31)40;1-43-18-19-44(23-43)24-20-27-38-34(16-15-33-37(38)26-8-2-5-11-32(26)48-33)49-39(27)35(21-24)47-25-13-14-30-31(22-25)46(36-12-6-7-17-41-36)40-42-28-9-3-4-10-29(28)45(30)40;;;;;/h2-22,25H,1H3;2-22,25H,1H3;3*2-20,23H,1H3;;;;;/q5*-3;;;;;.

What are the key properties of CID 160841188?

CID 160841188 has a molecular weight of 4213.80 g/mol, XLogP of 49.87, 20 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for CID 160841188 is sourced from PubChem (CID 160841188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Structure

Quick Facts

FormulaC207H119N28O15Pt5-15

Weight4213.80

LogP49.87

TPSA368.25

SMILES

CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)n3c5ccccc5nc3n4-c3ccccn3)c3oc4c(ccc5c6ccccc6oc54)c3c2)[CH-]1.CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)n3c5ccccc5nc3n4-c3ccccn3)c3oc4c(ccc5oc6ccccc6c54)c3c2)[CH-]1.CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)n3c5ccccc5nc3n4-c3ccccn3)c3oc4ccc5oc6ccccc6c5c4c3c2)[CH-]1.CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)c3oc4ccc5oc6ccccc6c5c4c3c2)c2ccccc21.CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)n3c5ccccc5nc3n4-c3ccccn3)c3oc4ccc5c6ccccc6oc5c4c3c2)c2ccccc21.[Pt].[Pt].[Pt].[Pt].[Pt]