CID 157160257

C160H98N28O5Pt5 — CID 157160257

IUPAC—
SMILESCC(C)c1nc2c3[c-]c(Oc4[c-]c5c(cn4)c4ccncc4n5-c4ccccn4)ccc3c3ccccc3n2n1.Cc1ccc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4c4nc(C)nn54)ccc3c3ccccc32)nc1.Cc1nc2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccccc3n2n1.Cc1nc2c3[c-]c(Oc4[c-]c5c(nc4)c4ccccc4n5-c4ccccn4)ccc3c3ccccc3n2n1.Cc1nc2c3[c-]c(Oc4ccc5c6ccccc6n(-c6[c-]cccc6)c5n4)ccc3c3ccccc3n2n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C33H21N5O.C32H21N7O.2C32H19N5O.C31H18N6O.5Pt/c1-20-11-16-32(34-19-20)37-29-10-6-5-8-25(29)27-15-13-22(17-30(27)37)39-23-12-14-26-24-7-3-4-9-28(24)33-35-21(2)36-38(33)31(26)18-23;1-19(2)31-36-32-24-15-20(10-11-21(24)22-7-3-4-8-26(22)39(32)37-31)40-30-16-27-25(17-35-30)23-12-14-33-18-28(23)38(27)29-9-5-6-13-34-29;1-20-34-32-27-18-21(13-15-23(27)24-8-3-5-11-29(24)37(32)35-20)38-22-14-16-26-25-9-2-4-10-28(25)36(30(26)19-22)31-12-6-7-17-33-31;1-20-33-32-27-19-22(15-16-23(27)24-11-6-8-14-29(24)37(32)35-20)38-30-18-17-26-25-12-5-7-13-28(25)36(31(26)34-30)21-9-3-2-4-10-21;1-19-34-31-25-16-20(13-14-22(25)23-8-2-5-11-27(23)37(31)35-19)38-21-17-28-30(33-18-21)24-9-3-4-10-26(24)36(28)29-12-6-7-15-32-29;;;;;/h3-16,19H,1-2H3;3-14,17-19H,1-2H3;2-17H,1H3;2-9,11-18H,1H3;2-15,18H,1H3;;;;;/q5*-2;5*+2
InChIKeyYRILIPAQYLOKQP-UHFFFAOYSA-N
MW3468.12 g/mol
LogP35.44
Rot. Bonds16

About CID 157160257

CID 157160257 (PubChem CID 157160257) has the molecular formula C160H98N28O5Pt5 and a molecular weight of 3468.12 g/mol.

Molecular Properties

Compound NameCID 157160257
PubChem CID157160257
Molecular FormulaC160H98N28O5Pt5
Molecular Weight3468.12 g/mol
Exact Mass3465.65
IUPAC Name—
SMILESCC(C)c1nc2c3[c-]c(Oc4[c-]c5c(cn4)c4ccncc4n5-c4ccccn4)ccc3c3ccccc3n2n1.Cc1ccc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4c4nc(C)nn54)ccc3c3ccccc32)nc1.Cc1nc2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccccc3n2n1.Cc1nc2c3[c-]c(Oc4[c-]c5c(nc4)c4ccccc4n5-c4ccccn4)ccc3c3ccccc3n2n1.Cc1nc2c3[c-]c(Oc4ccc5c6ccccc6n(-c6[c-]cccc6)c5n4)ccc3c3ccccc3n2n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C33H21N5O.C32H21N7O.2C32H19N5O.C31H18N6O.5Pt/c1-20-11-16-32(34-19-20)37-29-10-6-5-8-25(29)27-15-13-22(17-30(27)37)39-23-12-14-26-24-7-3-4-9-28(24)33-35-21(2)36-38(33)31(26)18-23;1-19(2)31-36-32-24-15-20(10-11-21(24)22-7-3-4-8-26(22)39(32)37-31)40-30-16-27-25(17-35-30)23-12-14-33-18-28(23)38(27)29-9-5-6-13-34-29;1-20-34-32-27-18-21(13-15-23(27)24-8-3-5-11-29(24)37(32)35-20)38-22-14-16-26-25-9-2-4-10-28(25)36(30(26)19-22)31-12-6-7-17-33-31;1-20-33-32-27-19-22(15-16-23(27)24-11-6-8-14-29(24)37(32)35-20)38-30-18-17-26-25-12-5-7-13-28(25)36(31(26)34-30)21-9-3-2-4-10-21;1-19-34-31-25-16-20(13-14-22(25)23-8-2-5-11-27(23)37(31)35-19)38-21-17-28-30(33-18-21)24-9-3-4-10-26(24)36(28)29-12-6-7-15-32-29;;;;;/h3-16,19H,1-2H3;3-14,17-19H,1-2H3;2-17H,1H3;2-9,11-18H,1H3;2-15,18H,1H3;;;;;/q5*-2;5*+2
InChIKeyYRILIPAQYLOKQP-UHFFFAOYSA-N
XLogP35.44
TPSA324.87 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds16
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003468.12
LogP ≤ 535.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 157160257?
The IUPAC name of CID 157160257 (CID 157160257) is not available.
What is the SMILES notation for CID 157160257?
The canonical SMILES for CID 157160257 is CC(C)c1nc2c3[c-]c(Oc4[c-]c5c(cn4)c4ccncc4n5-c4ccccn4)ccc3c3ccccc3n2n1.Cc1ccc(-n2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4c4nc(C)nn54)ccc3c3ccccc32)nc1.Cc1nc2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccccn4)ccc3c3ccccc3n2n1.Cc1nc2c3[c-]c(Oc4[c-]c5c(nc4)c4ccccc4n5-c4ccccn4)ccc3c3ccccc3n2n1.Cc1nc2c3[c-]c(Oc4ccc5c6ccccc6n(-c6[c-]cccc6)c5n4)ccc3c3ccccc3n2n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of CID 157160257?
The InChIKey is YRILIPAQYLOKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N5O.C32H21N7O.2C32H19N5O.C31H18N6O.5Pt/c1-20-11-16-32(34-19-20)37-29-10-6-5-8-25(29)27-15-13-22(17-30(27)37)39-23-12-14-26-24-7-3-4-9-28(24)33-35-21(2)36-38(33)31(26)18-23;1-19(2)31-36-32-24-15-20(10-11-21(24)22-7-3-4-8-26(22)39(32)37-31)40-30-16-27-25(17-35-30)23-12-14-33-18-28(23)38(27)29-9-5-6-13-34-29;1-20-34-32-27-18-21(13-15-23(27)24-8-3-5-11-29(24)37(32)35-20)38-22-14-16-26-25-9-2-4-10-28(25)36(30(26)19-22)31-12-6-7-17-33-31;1-20-33-32-27-19-22(15-16-23(27)24-11-6-8-14-29(24)37(32)35-20)38-30-18-17-26-25-12-5-7-13-28(25)36(31(26)34-30)21-9-3-2-4-10-21;1-19-34-31-25-16-20(13-14-22(25)23-8-2-5-11-27(23)37(31)35-19)38-21-17-28-30(33-18-21)24-9-3-4-10-26(24)36(28)29-12-6-7-15-32-29;;;;;/h3-16,19H,1-2H3;3-14,17-19H,1-2H3;2-17H,1H3;2-9,11-18H,1H3;2-15,18H,1H3;;;;;/q5*-2;5*+2.
What are the key properties of CID 157160257?
CID 157160257 has a molecular weight of 3468.12 g/mol, XLogP of 35.44, 16 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157160257 is sourced from PubChem (CID 157160257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).