CID 155616647

Name: CID 155616647 — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₄₈H₂₉N₄OPtS-3 — CID 155616647

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC—

SMILES[Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1N1[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3cccc(c31)S2

InChIInChI=1S/C48H29N4OS.Pt/c1-3-13-32(14-4-1)36-18-11-19-37(33-15-5-2-6-16-33)47(36)50-31-51-43-30-35(25-27-44(43)54-45-22-12-21-41(50)48(45)51)53-34-24-26-39-38-17-7-8-20-40(38)52(42(39)29-34)46-23-9-10-28-49-46;/h1-28,31H;/q-3;

InChIKeyRLVGCWZYPYXXFK-UHFFFAOYSA-N

MW904.93 g/mol

LogP12.78

Rot. Bonds6

About CID 155616647

CID 155616647 (PubChem CID 155616647) has the molecular formula C₄₈H₂₉N₄OPtS-3 and a molecular weight of 904.93 g/mol.

Molecular Properties

Compound Name	CID 155616647
PubChem CID	155616647
Molecular Formula	C₄₈H₂₉N₄OPtS-3
Molecular Weight	904.93 g/mol
Exact Mass	904.17
IUPAC Name	—
SMILES	[Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1N1[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3cccc(c31)S2
InChI	InChI=1S/C48H29N4OS.Pt/c1-3-13-32(14-4-1)36-18-11-19-37(33-15-5-2-6-16-33)47(36)50-31-51-43-30-35(25-27-44(43)54-45-22-12-21-41(50)48(45)51)53-34-24-26-39-38-17-7-8-20-40(38)52(42(39)29-34)46-23-9-10-28-49-46;/h1-28,31H;/q-3;
InChIKey	RLVGCWZYPYXXFK-UHFFFAOYSA-N
XLogP	12.78
TPSA	33.53 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	55
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	904.93
LogP ≤ 5	12.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 155616647?

The IUPAC name of CID 155616647 (CID 155616647) is not available.

What is the SMILES notation for CID 155616647?

The canonical SMILES for CID 155616647 is [Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccc2c1N1[CH-]N(c3c(-c4ccccc4)cccc3-c3ccccc3)c3cccc(c31)S2.

What is the InChIKey of CID 155616647?

The InChIKey is RLVGCWZYPYXXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N4OS.Pt/c1-3-13-32(14-4-1)36-18-11-19-37(33-15-5-2-6-16-33)47(36)50-31-51-43-30-35(25-27-44(43)54-45-22-12-21-41(50)48(45)51)53-34-24-26-39-38-17-7-8-20-40(38)52(42(39)29-34)46-23-9-10-28-49-46;/h1-28,31H;/q-3;.

What are the key properties of CID 155616647?

CID 155616647 has a molecular weight of 904.93 g/mol, XLogP of 12.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for CID 155616647 is sourced from PubChem (CID 155616647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 155616647 — identifiers, structure, computed properties (public domain)

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