CID 159512354

C187H132N23O5Pt5-15 — CID 159512354

IUPAC—

SMILESCC(C)(C)c1cc(-c2[c-]c(Oc3[c-]c(N4[CH-]N(c5ccccc5)C(c5ccccc5)=N4)ccc3)ccc2)nc(-c2ccccc2)c1.Cc1cc(-c2[c-]c(Oc3[c-]c(N4[CH-]N(c5ccccc5)C(c5ccccc5)=N4)ccc3)ccc2)nc(-c2ccccc2)c1.[Pt].[Pt].[Pt].[Pt].[Pt].[c-]1c(Oc2[c-]c(N3[CH-]N(c4ccccc4)C(c4ccccc4)=N3)ccc2)cccc1-c1cccc(-c2ccccc2)n1.[c-]1c(Oc2[c-]c(N3[CH-]N(c4ccccc4)C(c4ccccc4)=N3)ccc2)cccc1-c1ccnc(-c2ccccc2)n1.[c-]1c(Oc2[c-]c(N3[CH-]N(c4ccccc4)C(c4ccccc4)=N3)ccc2)cccc1-c1ncnc(-c2ccccc2)n1

InChIInChI=1S/C41H33N4O.C38H27N4O.C37H25N4O.C36H24N5O.C35H23N6O.5Pt/c1-41(2,3)33-26-38(30-15-7-4-8-16-30)42-39(27-33)32-19-13-23-36(25-32)46-37-24-14-22-35(28-37)45-29-44(34-20-11-6-12-21-34)40(43-45)31-17-9-5-10-18-31;1-28-23-36(29-13-5-2-6-14-29)39-37(24-28)31-17-11-21-34(25-31)43-35-22-12-20-33(26-35)42-27-41(32-18-9-4-10-19-32)38(40-42)30-15-7-3-8-16-30;1-4-13-28(14-5-1)35-23-12-24-36(38-35)30-17-10-21-33(25-30)42-34-22-11-20-32(26-34)41-27-40(31-18-8-3-9-19-31)37(39-41)29-15-6-2-7-16-29;1-4-12-27(13-5-1)35-37-23-22-34(38-35)29-16-10-20-32(24-29)42-33-21-11-19-31(25-33)41-26-40(30-17-8-3-9-18-30)36(39-41)28-14-6-2-7-15-28;1-4-12-26(13-5-1)33-36-24-37-34(38-33)28-16-10-20-31(22-28)42-32-21-11-19-30(23-32)41-25-40(29-17-8-3-9-18-29)35(39-41)27-14-6-2-7-15-27;;;;;/h4-24,26-27,29H,1-3H3;2-24,27H,1H3;1-24,27H;1-23,26H;1-21,24-25H;;;;;/q5*-3;;;;;

InChIKeyLJNAYAIPCKCMRK-UHFFFAOYSA-N

MW3756.66 g/mol

LogP42.86

Rot. Bonds35

About CID 159512354

CID 159512354 (PubChem CID 159512354) has the molecular formula C187H132N23O5Pt5-15 and a molecular weight of 3756.66 g/mol.

Molecular Properties

Compound Name	CID 159512354
PubChem CID	159512354
Molecular Formula	C187H132N23O5Pt5-15
Molecular Weight	3756.66 g/mol
Exact Mass	3753.91
IUPAC Name	—
SMILES	CC(C)(C)c1cc(-c2[c-]c(Oc3[c-]c(N4[CH-]N(c5ccccc5)C(c5ccccc5)=N4)ccc3)ccc2)nc(-c2ccccc2)c1.Cc1cc(-c2[c-]c(Oc3[c-]c(N4[CH-]N(c5ccccc5)C(c5ccccc5)=N4)ccc3)ccc2)nc(-c2ccccc2)c1.[Pt].[Pt].[Pt].[Pt].[Pt].[c-]1c(Oc2[c-]c(N3[CH-]N(c4ccccc4)C(c4ccccc4)=N3)ccc2)cccc1-c1cccc(-c2ccccc2)n1.[c-]1c(Oc2[c-]c(N3[CH-]N(c4ccccc4)C(c4ccccc4)=N3)ccc2)cccc1-c1ccnc(-c2ccccc2)n1.[c-]1c(Oc2[c-]c(N3[CH-]N(c4ccccc4)C(c4ccccc4)=N3)ccc2)cccc1-c1ncnc(-c2ccccc2)n1
InChI	InChI=1S/C41H33N4O.C38H27N4O.C37H25N4O.C36H24N5O.C35H23N6O.5Pt/c1-41(2,3)33-26-38(30-15-7-4-8-16-30)42-39(27-33)32-19-13-23-36(25-32)46-37-24-14-22-35(28-37)45-29-44(34-20-11-6-12-21-34)40(43-45)31-17-9-5-10-18-31;1-28-23-36(29-13-5-2-6-14-29)39-37(24-28)31-17-11-21-34(25-31)43-35-22-12-20-33(26-35)42-27-41(32-18-9-4-10-19-32)38(40-42)30-15-7-3-8-16-30;1-4-13-28(14-5-1)35-23-12-24-36(38-35)30-17-10-21-33(25-30)42-34-22-11-20-32(26-34)41-27-40(31-18-8-3-9-19-31)37(39-41)29-15-6-2-7-16-29;1-4-12-27(13-5-1)35-37-23-22-34(38-35)29-16-10-20-32(24-29)42-33-21-11-19-31(25-33)41-26-40(30-17-8-3-9-18-30)36(39-41)28-14-6-2-7-15-28;1-4-12-26(13-5-1)33-36-24-37-34(38-33)28-16-10-20-31(22-28)42-32-21-11-19-30(23-32)41-25-40(29-17-8-3-9-18-29)35(39-41)27-14-6-2-7-15-27;;;;;/h4-24,26-27,29H,1-3H3;2-24,27H,1H3;1-24,27H;1-23,26H;1-21,24-25H;;;;;/q5*-3;;;;;
InChIKey	LJNAYAIPCKCMRK-UHFFFAOYSA-N
XLogP	42.86
TPSA	243.47 Å²
H-Bond Donors
H-Bond Acceptors	28
Rotatable Bonds	35
Heavy Atoms	220
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3756.66
LogP ≤ 5	42.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

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 159512354?

The IUPAC name of CID 159512354 (CID 159512354) is not available.

What is the SMILES notation for CID 159512354?

The canonical SMILES for CID 159512354 is CC(C)(C)c1cc(-c2[c-]c(Oc3[c-]c(N4[CH-]N(c5ccccc5)C(c5ccccc5)=N4)ccc3)ccc2)nc(-c2ccccc2)c1.Cc1cc(-c2[c-]c(Oc3[c-]c(N4[CH-]N(c5ccccc5)C(c5ccccc5)=N4)ccc3)ccc2)nc(-c2ccccc2)c1.[Pt].[Pt].[Pt].[Pt].[Pt].[c-]1c(Oc2[c-]c(N3[CH-]N(c4ccccc4)C(c4ccccc4)=N3)ccc2)cccc1-c1cccc(-c2ccccc2)n1.[c-]1c(Oc2[c-]c(N3[CH-]N(c4ccccc4)C(c4ccccc4)=N3)ccc2)cccc1-c1ccnc(-c2ccccc2)n1.[c-]1c(Oc2[c-]c(N3[CH-]N(c4ccccc4)C(c4ccccc4)=N3)ccc2)cccc1-c1ncnc(-c2ccccc2)n1.

What is the InChIKey of CID 159512354?

The InChIKey is LJNAYAIPCKCMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33N4O.C38H27N4O.C37H25N4O.C36H24N5O.C35H23N6O.5Pt/c1-41(2,3)33-26-38(30-15-7-4-8-16-30)42-39(27-33)32-19-13-23-36(25-32)46-37-24-14-22-35(28-37)45-29-44(34-20-11-6-12-21-34)40(43-45)31-17-9-5-10-18-31;1-28-23-36(29-13-5-2-6-14-29)39-37(24-28)31-17-11-21-34(25-31)43-35-22-12-20-33(26-35)42-27-41(32-18-9-4-10-19-32)38(40-42)30-15-7-3-8-16-30;1-4-13-28(14-5-1)35-23-12-24-36(38-35)30-17-10-21-33(25-30)42-34-22-11-20-32(26-34)41-27-40(31-18-8-3-9-19-31)37(39-41)29-15-6-2-7-16-29;1-4-12-27(13-5-1)35-37-23-22-34(38-35)29-16-10-20-32(24-29)42-33-21-11-19-31(25-33)41-26-40(30-17-8-3-9-18-30)36(39-41)28-14-6-2-7-15-28;1-4-12-26(13-5-1)33-36-24-37-34(38-33)28-16-10-20-31(22-28)42-32-21-11-19-30(23-32)41-25-40(29-17-8-3-9-18-29)35(39-41)27-14-6-2-7-15-27;;;;;/h4-24,26-27,29H,1-3H3;2-24,27H,1H3;1-24,27H;1-23,26H;1-21,24-25H;;;;;/q5*-3;;;;;.

What are the key properties of CID 159512354?

CID 159512354 has a molecular weight of 3756.66 g/mol, XLogP of 42.86, 35 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for CID 159512354 is sourced from PubChem (CID 159512354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).