3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;bis(chloroplatinum(1+));3-[4-(3,5-difluorophenyl)-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline

C62H34Cl2F8N4Pt2 — CID 157236165

IUPAC3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;bis(chloroplatinum(1+));3-[4-(3,5-difluorophenyl)-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline
SMILESCl[Pt+].Cl[Pt+].FC(F)(F)c1cc(-c2cc(-c3[c-]cc4ccccc4c3)nc(-c3cc4ccccc4cn3)c2)cc(C(F)(F)F)c1.Fc1cc(F)cc(-c2cc(-c3[c-]cc4ccccc4c3)nc(-c3cc4ccccc4cn3)c2)c1
InChIInChI=1S/C32H17F6N2.C30H17F2N2.2ClH.2Pt/c33-31(34,35)26-12-24(13-27(17-26)32(36,37)38)25-15-28(22-10-9-19-5-1-2-6-20(19)11-22)40-30(16-25)29-14-21-7-3-4-8-23(21)18-39-29;31-26-12-24(13-27(32)17-26)25-15-28(22-10-9-19-5-1-2-6-20(19)11-22)34-30(16-25)29-14-21-7-3-4-8-23(21)18-33-29;;;;/h1-9,11-18H;1-9,11-18H;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyFUYHDMMXMBDUOM-UHFFFAOYSA-L
MW1448.03 g/mol
LogP18.86
Rot. Bonds6

About 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;bis(chloroplatinum(1+));3-[4-(3,5-difluorophenyl)-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline

3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;bis(chloroplatinum(1+));3-[4-(3,5-difluorophenyl)-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline (PubChem CID 157236165) has the molecular formula C62H34Cl2F8N4Pt2 and a molecular weight of 1448.03 g/mol. Its IUPAC name is 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;bis(chloroplatinum(1+));3-[4-(3,5-difluorophenyl)-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline.

Molecular Properties

Compound Name3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;bis(chloroplatinum(1+));3-[4-(3,5-difluorophenyl)-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline
PubChem CID157236165
Molecular FormulaC62H34Cl2F8N4Pt2
Molecular Weight1448.03 g/mol
Exact Mass1446.13
IUPAC Name3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;bis(chloroplatinum(1+));3-[4-(3,5-difluorophenyl)-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline
SMILESCl[Pt+].Cl[Pt+].FC(F)(F)c1cc(-c2cc(-c3[c-]cc4ccccc4c3)nc(-c3cc4ccccc4cn3)c2)cc(C(F)(F)F)c1.Fc1cc(F)cc(-c2cc(-c3[c-]cc4ccccc4c3)nc(-c3cc4ccccc4cn3)c2)c1
InChIInChI=1S/C32H17F6N2.C30H17F2N2.2ClH.2Pt/c33-31(34,35)26-12-24(13-27(17-26)32(36,37)38)25-15-28(22-10-9-19-5-1-2-6-20(19)11-22)40-30(16-25)29-14-21-7-3-4-8-23(21)18-39-29;31-26-12-24(13-27(32)17-26)25-15-28(22-10-9-19-5-1-2-6-20(19)11-22)34-30(16-25)29-14-21-7-3-4-8-23(21)18-33-29;;;;/h1-9,11-18H;1-9,11-18H;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyFUYHDMMXMBDUOM-UHFFFAOYSA-L
XLogP18.86
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001448.03
LogP ≤ 518.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;bis(chloroplatinum(1+));3-[4-(3,5-difluorophenyl)-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline with MolForge

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Related Compounds

(R,R)-Mn(CF3-PDP)(MeCN)2(SbF6)2
CID 135121907
(R,R)-Fe(CF3-PDP)(MeCN)2(SbF6)2
CID 135121908
Manganese(2+);tris(2-pyridin-2-ylpyridine);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139098886
4-[2,6-Di(propan-2-yl)phenyl]-1-[3-(trifluoromethyl)pyrazol-1-id-5-yl]isoquinoline;4-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)pyrazol-1-id-3-yl]isoquinoline;platinum(2+)
CID 139165520
Gross107 (Sudhakar)
CID 139174614
bis(1-[5-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]-N,N-bis[[5-[3,5-bis(trifluoromethyl)phenyl]pyrrol-1-id-2-yl]methyl]methanamine);hexane;decakis(pyridine);bis(uranium(4+))
CID 168337712
Bis(5-[2,6-di(propan-2-yl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);platinum(2+)
CID 168338735
Nickel(2+);bis(pentane);bis(quinolin-8-yl-[2-(trifluoromethyl)phenanthridin-4-yl]azanide)
CID 168341947
Bis(2-[5-methyl-3-(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);2-pyridin-2-ylpyridine;ruthenium(2+)
CID 58510471
Platinum(2+);2-[4-(trifluoromethyl)pyrrol-1-id-2-yl]-6-[2-[6-[4-(trifluoromethyl)pyrrol-1-id-2-yl]-2-pyridinyl]propan-2-yl]pyridine
CID 58831065
3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;chloroplatinum(1+)
CID 59863407
Bis(4-methyl-5-(2-methylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine);osmium(2+);2-pyridin-2-ylpyridine
CID 140775454

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;bis(chloroplatinum(1+));3-[4-(3,5-difluorophenyl)-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline?
The IUPAC name of 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;bis(chloroplatinum(1+));3-[4-(3,5-difluorophenyl)-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline (CID 157236165) is 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;bis(chloroplatinum(1+));3-[4-(3,5-difluorophenyl)-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline.
What is the SMILES notation for 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;bis(chloroplatinum(1+));3-[4-(3,5-difluorophenyl)-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline?
The canonical SMILES for 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;bis(chloroplatinum(1+));3-[4-(3,5-difluorophenyl)-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline is Cl[Pt+].Cl[Pt+].FC(F)(F)c1cc(-c2cc(-c3[c-]cc4ccccc4c3)nc(-c3cc4ccccc4cn3)c2)cc(C(F)(F)F)c1.Fc1cc(F)cc(-c2cc(-c3[c-]cc4ccccc4c3)nc(-c3cc4ccccc4cn3)c2)c1.
What is the InChIKey of 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;bis(chloroplatinum(1+));3-[4-(3,5-difluorophenyl)-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline?
The InChIKey is FUYHDMMXMBDUOM-UHFFFAOYSA-L. The full InChI is InChI=1S/C32H17F6N2.C30H17F2N2.2ClH.2Pt/c33-31(34,35)26-12-24(13-27(17-26)32(36,37)38)25-15-28(22-10-9-19-5-1-2-6-20(19)11-22)40-30(16-25)29-14-21-7-3-4-8-23(21)18-39-29;31-26-12-24(13-27(32)17-26)25-15-28(22-10-9-19-5-1-2-6-20(19)11-22)34-30(16-25)29-14-21-7-3-4-8-23(21)18-33-29;;;;/h1-9,11-18H;1-9,11-18H;2*1H;;/q2*-1;;;2*+2/p-2.
What are the key properties of 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;bis(chloroplatinum(1+));3-[4-(3,5-difluorophenyl)-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline?
3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;bis(chloroplatinum(1+));3-[4-(3,5-difluorophenyl)-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline has a molecular weight of 1448.03 g/mol, XLogP of 18.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline;bis(chloroplatinum(1+));3-[4-(3,5-difluorophenyl)-6-(3H-naphthalen-3-id-2-yl)-2-pyridinyl]isoquinoline is sourced from PubChem (CID 157236165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).