CID 159582133

C139H120N20O4Pt4 — CID 159582133

IUPAC—

SMILESCc1cc(Oc2[c-]c3c(cc2)c2cccc4c2n3-c2ncccc2C4(C)C)[c-]c(N2CN(C(C)C)c3ccc(C)nc32)c1.Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)[c-]c(N2CN(C(C)C)c3ccc(C)nc32)c1.Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(N2CN(C(C)C)c3ccc(C)nc32)c1.Cc1ccc2c(n1)N(c1[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc1)CN2C(C)C.[Pt+2].[Pt+2].[Pt+2].[Pt+2]

InChIInChI=1S/C37H33N5O.C35H31N5O.C34H29N5O.C33H27N5O.4Pt/c1-22(2)40-21-41(36-32(40)15-12-24(4)39-36)25-17-23(3)18-27(19-25)43-26-13-14-28-29-9-7-10-30-34(29)42(33(28)20-26)35-31(37(30,5)6)11-8-16-38-35;1-22(2)38-21-39(35-32(38)13-10-25(5)37-35)26-16-24(4)17-28(19-26)41-27-11-12-30-29-8-6-7-9-31(29)40(33(30)20-27)34-18-23(3)14-15-36-34;1-22(2)37-21-38(34-31(37)15-12-24(4)36-34)25-17-23(3)18-27(19-25)40-26-13-14-29-28-9-5-6-10-30(28)39(32(29)20-26)33-11-7-8-16-35-33;1-22(2)36-21-37(33-30(36)17-14-23(3)35-33)24-9-8-10-25(19-24)39-26-15-16-28-27-11-4-5-12-29(27)38(31(28)20-26)32-13-6-7-18-34-32;;;;/h7-18,22H,21H2,1-6H3;6-18,22H,21H2,1-5H3;5-18,22H,21H2,1-4H3;4-18,22H,21H2,1-3H3;;;;/q4*-2;4*+2

InChIKeyYDGKJSZDMRFLHX-UHFFFAOYSA-N

MW2914.94 g/mol

LogP32.26

Rot. Bonds19

About CID 159582133

CID 159582133 (PubChem CID 159582133) has the molecular formula C139H120N20O4Pt4 and a molecular weight of 2914.94 g/mol.

Molecular Properties

Compound Name	CID 159582133
PubChem CID	159582133
Molecular Formula	C139H120N20O4Pt4
Molecular Weight	2914.94 g/mol
Exact Mass	2912.84
IUPAC Name	—
SMILES	Cc1cc(Oc2[c-]c3c(cc2)c2cccc4c2n3-c2ncccc2C4(C)C)[c-]c(N2CN(C(C)C)c3ccc(C)nc32)c1.Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)[c-]c(N2CN(C(C)C)c3ccc(C)nc32)c1.Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(N2CN(C(C)C)c3ccc(C)nc32)c1.Cc1ccc2c(n1)N(c1[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc1)CN2C(C)C.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChI	InChI=1S/C37H33N5O.C35H31N5O.C34H29N5O.C33H27N5O.4Pt/c1-22(2)40-21-41(36-32(40)15-12-24(4)39-36)25-17-23(3)18-27(19-25)43-26-13-14-28-29-9-7-10-30-34(29)42(33(28)20-26)35-31(37(30,5)6)11-8-16-38-35;1-22(2)38-21-39(35-32(38)13-10-25(5)37-35)26-16-24(4)17-28(19-26)41-27-11-12-30-29-8-6-7-9-31(29)40(33(30)20-27)34-18-23(3)14-15-36-34;1-22(2)37-21-38(34-31(37)15-12-24(4)36-34)25-17-23(3)18-27(19-25)40-26-13-14-29-28-9-5-6-10-30(28)39(32(29)20-26)33-11-7-8-16-35-33;1-22(2)36-21-37(33-30(36)17-14-23(3)35-33)24-9-8-10-25(19-24)39-26-15-16-28-27-11-4-5-12-29(27)38(31(28)20-26)32-13-6-7-18-34-32;;;;/h7-18,22H,21H2,1-6H3;6-18,22H,21H2,1-5H3;5-18,22H,21H2,1-4H3;4-18,22H,21H2,1-3H3;;;;/q4-2;4+2
InChIKey	YDGKJSZDMRFLHX-UHFFFAOYSA-N
XLogP	32.26
TPSA	185.68 Å²
H-Bond Donors
H-Bond Acceptors	24
Rotatable Bonds	19
Heavy Atoms	167
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2914.94
LogP ≤ 5	32.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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 159582133?

The IUPAC name of CID 159582133 (CID 159582133) is not available.

What is the SMILES notation for CID 159582133?

The canonical SMILES for CID 159582133 is Cc1cc(Oc2[c-]c3c(cc2)c2cccc4c2n3-c2ncccc2C4(C)C)[c-]c(N2CN(C(C)C)c3ccc(C)nc32)c1.Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)[c-]c(N2CN(C(C)C)c3ccc(C)nc32)c1.Cc1cc(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)[c-]c(N2CN(C(C)C)c3ccc(C)nc32)c1.Cc1ccc2c(n1)N(c1[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc1)CN2C(C)C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].

What is the InChIKey of CID 159582133?

The InChIKey is YDGKJSZDMRFLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N5O.C35H31N5O.C34H29N5O.C33H27N5O.4Pt/c1-22(2)40-21-41(36-32(40)15-12-24(4)39-36)25-17-23(3)18-27(19-25)43-26-13-14-28-29-9-7-10-30-34(29)42(33(28)20-26)35-31(37(30,5)6)11-8-16-38-35;1-22(2)38-21-39(35-32(38)13-10-25(5)37-35)26-16-24(4)17-28(19-26)41-27-11-12-30-29-8-6-7-9-31(29)40(33(30)20-27)34-18-23(3)14-15-36-34;1-22(2)37-21-38(34-31(37)15-12-24(4)36-34)25-17-23(3)18-27(19-25)40-26-13-14-29-28-9-5-6-10-30(28)39(32(29)20-26)33-11-7-8-16-35-33;1-22(2)36-21-37(33-30(36)17-14-23(3)35-33)24-9-8-10-25(19-24)39-26-15-16-28-27-11-4-5-12-29(27)38(31(28)20-26)32-13-6-7-18-34-32;;;;/h7-18,22H,21H2,1-6H3;6-18,22H,21H2,1-5H3;5-18,22H,21H2,1-4H3;4-18,22H,21H2,1-3H3;;;;/q4*-2;4*+2.

What are the key properties of CID 159582133?

CID 159582133 has a molecular weight of 2914.94 g/mol, XLogP of 32.26, 19 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for CID 159582133 is sourced from PubChem (CID 159582133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).