platinum(2+);bis(5-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine)

C58H56N2Pt — CID 58939495

IUPACplatinum(2+);bis(5-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine)
SMILESCc1cc(C)c(-c2c[c-]c(-c3ccc(-c4c(C)cc(C)cc4C)cn3)cc2)c(C)c1.Cc1cc(C)c(-c2c[c-]c(-c3ccc(-c4c(C)cc(C)cc4C)cn3)cc2)c(C)c1.[Pt+2]
InChIInChI=1S/2C29H28N.Pt/c2*1-18-13-20(3)28(21(4)14-18)25-9-7-24(8-10-25)27-12-11-26(17-30-27)29-22(5)15-19(2)16-23(29)6;/h2*7,9-17H,1-6H3;/q2*-1;+2
InChIKeyNRILONLBDZAQFQ-UHFFFAOYSA-N
MW976.18 g/mol
LogP15.46
Rot. Bonds6

About platinum(2+);bis(5-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine)

platinum(2+);bis(5-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine) (PubChem CID 58939495) has the molecular formula C58H56N2Pt and a molecular weight of 976.18 g/mol. Its IUPAC name is platinum(2+);bis(5-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine).

Molecular Properties

Compound Nameplatinum(2+);bis(5-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine)
PubChem CID58939495
Molecular FormulaC58H56N2Pt
Molecular Weight976.18 g/mol
Exact Mass975.41
IUPAC Nameplatinum(2+);bis(5-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine)
SMILESCc1cc(C)c(-c2c[c-]c(-c3ccc(-c4c(C)cc(C)cc4C)cn3)cc2)c(C)c1.Cc1cc(C)c(-c2c[c-]c(-c3ccc(-c4c(C)cc(C)cc4C)cn3)cc2)c(C)c1.[Pt+2]
InChIInChI=1S/2C29H28N.Pt/c2*1-18-13-20(3)28(21(4)14-18)25-9-7-24(8-10-25)27-12-11-26(17-30-27)29-22(5)15-19(2)16-23(29)6;/h2*7,9-17H,1-6H3;/q2*-1;+2
InChIKeyNRILONLBDZAQFQ-UHFFFAOYSA-N
XLogP15.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500976.18
LogP ≤ 515.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-dimethyl-2-(4-methylbenzene-6-id-1-yl)pyridine;5-(2,6-dimethylphenyl)-2-[4-(2,6-dimethylphenyl)benzene-6-id-1-yl]pyridine;iridium
CID 171746784
2-[4-[2-(3,5-dimethylphenyl)-3-[4-[5-[2-(3,5-dimethylphenyl)phenyl]-2-pyridinyl]benzene-5-id-1-yl]phenyl]benzene-6-id-1-yl]-5-[2-(3,5-dimethylphenyl)phenyl]pyridine;bis(iridium)
CID 153422727
2-(4-tert-butylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)pyridine;iridium
CID 153419838
5-hexyl-2-(3H-triphenylen-3-id-2-yl)pyridine;iridium;2-phenyl-5-(2,4,6-trimethylphenyl)pyridine
CID 155602230
2-[4-(3,5-difluorophenyl)benzene-6-id-1-yl]-5-methylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;iridium
CID 155602228
iridium;5-methyl-2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-phenyl-5-(2,4,6-trimethylphenyl)pyridine
CID 155602165
2-phenyl-4-(2,4,6-trimethylphenyl)-6-[5-(2,4,6-trimethylphenyl)-2-pyridinyl]pyridine
CID 23528053
CID 159184631
CID 159184631
2,4-dicyclohexyl-6-[6-[4-[2-(3,5-dimethylphenyl)phenyl]benzene-6-id-1-yl]-3-pyridinyl]-1,3,5-triazine;iridium
CID 140838680
2-[4-[2-[3,5-bis[2-[4-(5-methyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-6-id-1-yl]-6-phenylpyridine;carbanide;iridium
CID 166046651
chloroplatinum(1+);2-[3-pyridin-2-yl-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine
CID 57326725
iridium;methanol;bis(2-(4-methylbenzene-6-id-1-yl)-5-(trideuteriomethyl)pyridine)
CID 156686859

Frequently Asked Questions

What is the IUPAC name of platinum(2+);bis(5-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine)?
The IUPAC name of platinum(2+);bis(5-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine) (CID 58939495) is platinum(2+);bis(5-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine).
What is the SMILES notation for platinum(2+);bis(5-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine)?
The canonical SMILES for platinum(2+);bis(5-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine) is Cc1cc(C)c(-c2c[c-]c(-c3ccc(-c4c(C)cc(C)cc4C)cn3)cc2)c(C)c1.Cc1cc(C)c(-c2c[c-]c(-c3ccc(-c4c(C)cc(C)cc4C)cn3)cc2)c(C)c1.[Pt+2].
What is the InChIKey of platinum(2+);bis(5-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine)?
The InChIKey is NRILONLBDZAQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H28N.Pt/c2*1-18-13-20(3)28(21(4)14-18)25-9-7-24(8-10-25)27-12-11-26(17-30-27)29-22(5)15-19(2)16-23(29)6;/h2*7,9-17H,1-6H3;/q2*-1;+2.
What are the key properties of platinum(2+);bis(5-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine)?
platinum(2+);bis(5-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine) has a molecular weight of 976.18 g/mol, XLogP of 15.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for platinum(2+);bis(5-(2,4,6-trimethylphenyl)-2-[4-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridine) is sourced from PubChem (CID 58939495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).