2-[5-[(Z)-[3,4-diethyl-5-(2-oxidophenyl)pyrrol-2-ylidene]methyl]-3,4-diethylpyrrol-1-id-2-yl]phenolate;platinum

C29H29N2O2Pt-3 — CID 139168142

About 2-[5-[(Z)-[3,4-diethyl-5-(2-oxidophenyl)pyrrol-2-ylidene]methyl]-3,4-diethylpyrrol-1-id-2-yl]phenolate;platinum

2-[5-[(Z)-[3,4-diethyl-5-(2-oxidophenyl)pyrrol-2-ylidene]methyl]-3,4-diethylpyrrol-1-id-2-yl]phenolate;platinum (PubChem CID 139168142) has the molecular formula C29H29N2O2Pt-3 and a molecular weight of 632.64 g/mol. Its IUPAC name is 2-[5-[(Z)-[3,4-diethyl-5-(2-oxidophenyl)pyrrol-2-ylidene]methyl]-3,4-diethylpyrrol-1-id-2-yl]phenolate;platinum.

Molecular Properties

• Compound Name: 2-[5-[(Z)-[3,4-diethyl-5-(2-oxidophenyl)pyrrol-2-ylidene]methyl]-3,4-diethylpyrrol-1-id-2-yl]phenolate;platinum
• PubChem CID: 139168142
• Molecular Formula: C29H29N2O2Pt-3
• Molecular Weight: 632.64 g/mol
• Exact Mass: 632.19
• IUPAC Name: 2-[5-[(Z)-[3,4-diethyl-5-(2-oxidophenyl)pyrrol-2-ylidene]methyl]-3,4-diethylpyrrol-1-id-2-yl]phenolate;platinum
• SMILES: CCC1=C(CC)/C(=C/c2[n-]c(-c3ccccc3[O-])c(CC)c2CC)N=C1c1ccccc1[O-].[Pt]
• InChI: InChI=1S/C29H31N2O2.Pt/c1-5-18-20(7-3)28(22-13-9-11-15-26(22)32)30-24(18)17-25-19(6-2)21(8-4)29(31-25)23-14-10-12-16-27(23)33;/h9-17H,5-8H2,1-4H3,(H2-,30,31,32,33);/q-1;/p-2
• InChIKey: YAKPBBUKLVDNQK-UHFFFAOYSA-L
• XLogP: 5.54
• TPSA: 72.58 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.64
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(Z)-[3,4-diethyl-5-(2-oxidophenyl)pyrrol-2-ylidene]methyl]-3,4-diethylpyrrol-1-id-2-yl]phenolate;platinum?

The IUPAC name of 2-[5-[(Z)-[3,4-diethyl-5-(2-oxidophenyl)pyrrol-2-ylidene]methyl]-3,4-diethylpyrrol-1-id-2-yl]phenolate;platinum (CID 139168142) is 2-[5-[(Z)-[3,4-diethyl-5-(2-oxidophenyl)pyrrol-2-ylidene]methyl]-3,4-diethylpyrrol-1-id-2-yl]phenolate;platinum.

What is the SMILES notation for 2-[5-[(Z)-[3,4-diethyl-5-(2-oxidophenyl)pyrrol-2-ylidene]methyl]-3,4-diethylpyrrol-1-id-2-yl]phenolate;platinum?

The canonical SMILES for 2-[5-[(Z)-[3,4-diethyl-5-(2-oxidophenyl)pyrrol-2-ylidene]methyl]-3,4-diethylpyrrol-1-id-2-yl]phenolate;platinum is CCC1=C(CC)/C(=C/c2[n-]c(-c3ccccc3[O-])c(CC)c2CC)N=C1c1ccccc1[O-].[Pt].

What is the InChIKey of 2-[5-[(Z)-[3,4-diethyl-5-(2-oxidophenyl)pyrrol-2-ylidene]methyl]-3,4-diethylpyrrol-1-id-2-yl]phenolate;platinum?

The InChIKey is YAKPBBUKLVDNQK-UHFFFAOYSA-L. The full InChI is InChI=1S/C29H31N2O2.Pt/c1-5-18-20(7-3)28(22-13-9-11-15-26(22)32)30-24(18)17-25-19(6-2)21(8-4)29(31-25)23-14-10-12-16-27(23)33;/h9-17H,5-8H2,1-4H3,(H2-,30,31,32,33);/q-1;/p-2.

What are the key properties of 2-[5-[(Z)-[3,4-diethyl-5-(2-oxidophenyl)pyrrol-2-ylidene]methyl]-3,4-diethylpyrrol-1-id-2-yl]phenolate;platinum?

2-[5-[(Z)-[3,4-diethyl-5-(2-oxidophenyl)pyrrol-2-ylidene]methyl]-3,4-diethylpyrrol-1-id-2-yl]phenolate;platinum has a molecular weight of 632.64 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(Z)-[3,4-diethyl-5-(2-oxidophenyl)pyrrol-2-ylidene]methyl]-3,4-diethylpyrrol-1-id-2-yl]phenolate;platinum is sourced from PubChem (CID 139168142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).