6-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-phenyl-5H-[1,2,4]triazolo[1,5-c]quinazolin-5-ide;platinum

About 6-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-phenyl-5H-[1,2,4]triazolo[1,5-c]quinazolin-5-ide;platinum

6-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-phenyl-5H-[1,2,4]triazolo[1,5-c]quinazolin-5-ide;platinum (PubChem CID 162771885) has the molecular formula C42H32N5OPt-3 and a molecular weight of 817.83 g/mol. Its IUPAC name is 6-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-phenyl-5H-[1,2,4]triazolo[1,5-c]quinazolin-5-ide;platinum.

Molecular Properties

Compound Name	6-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-phenyl-5H-[1,2,4]triazolo[1,5-c]quinazolin-5-ide;platinum
PubChem CID	162771885
Molecular Formula	C42H32N5OPt-3
Molecular Weight	817.83 g/mol
Exact Mass	817.23
IUPAC Name	6-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-phenyl-5H-[1,2,4]triazolo[1,5-c]quinazolin-5-ide;platinum
SMILES	CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(N4[CH-]n5nc(-c6ccccc6)nc5-c5ccccc54)cc(-c4ccccc4)c3)ccc2)c1.[Pt]
InChI	InChI=1S/C42H32N5O.Pt/c1-42(2,3)33-21-22-43-38(26-33)31-17-12-18-35(24-31)48-36-25-32(29-13-6-4-7-14-29)23-34(27-36)46-28-47-41(37-19-10-11-20-39(37)46)44-40(45-47)30-15-8-5-9-16-30;/h4-23,25-26,28H,1-3H3;/q-3;
InChIKey	KGWJVVNEBMDLGU-UHFFFAOYSA-N
XLogP	10.15
TPSA	56.07 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	49
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.83
LogP ≤ 5	10.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-phenyl-5H-[1,2,4]triazolo[1,5-c]quinazolin-5-ide;platinum?

The IUPAC name of 6-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-phenyl-5H-[1,2,4]triazolo[1,5-c]quinazolin-5-ide;platinum (CID 162771885) is 6-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-phenyl-5H-[1,2,4]triazolo[1,5-c]quinazolin-5-ide;platinum.

What is the SMILES notation for 6-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-phenyl-5H-[1,2,4]triazolo[1,5-c]quinazolin-5-ide;platinum?

The canonical SMILES for 6-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-phenyl-5H-[1,2,4]triazolo[1,5-c]quinazolin-5-ide;platinum is CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(N4[CH-]n5nc(-c6ccccc6)nc5-c5ccccc54)cc(-c4ccccc4)c3)ccc2)c1.[Pt].

What is the InChIKey of 6-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-phenyl-5H-[1,2,4]triazolo[1,5-c]quinazolin-5-ide;platinum?

The InChIKey is KGWJVVNEBMDLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N5O.Pt/c1-42(2,3)33-21-22-43-38(26-33)31-17-12-18-35(24-31)48-36-25-32(29-13-6-4-7-14-29)23-34(27-36)46-28-47-41(37-19-10-11-20-39(37)46)44-40(45-47)30-15-8-5-9-16-30;/h4-23,25-26,28H,1-3H3;/q-3;.

What are the key properties of 6-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-phenyl-5H-[1,2,4]triazolo[1,5-c]quinazolin-5-ide;platinum?

6-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-phenyl-5H-[1,2,4]triazolo[1,5-c]quinazolin-5-ide;platinum has a molecular weight of 817.83 g/mol, XLogP of 10.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-2-phenyl-5H-[1,2,4]triazolo[1,5-c]quinazolin-5-ide;platinum is sourced from PubChem (CID 162771885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).