benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+))

C60H38N4Pt2 — CID 21024830

IUPACbenzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+))
SMILES[Pt+2].[Pt+2].[c-]1c(-c2nccc3ccccc23)cc(-c2cc(-c3nccc4ccccc34)[c-]c(-c3nccc4ccccc34)c2)cc1-c1nccc2ccccc12.[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/C48H28N4.2C6H5.2Pt/c1-5-13-41-31(9-1)17-21-49-45(41)37-25-35(26-38(29-37)46-42-14-6-2-10-32(42)18-22-50-46)36-27-39(47-43-15-7-3-11-33(43)19-23-51-47)30-40(28-36)48-44-16-8-4-12-34(44)20-24-52-48;2*1-2-4-6-5-3-1;;/h1-28H;2*1-5H;;/q-2;2*-1;2*+2
InChIKeySJXGCIPPDPBXID-UHFFFAOYSA-N
MW1205.15 g/mol
LogP14.78
Rot. Bonds5

About benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+))

benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+)) (PubChem CID 21024830) has the molecular formula C60H38N4Pt2 and a molecular weight of 1205.15 g/mol. Its IUPAC name is benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+)).

Molecular Properties

Compound Namebenzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+))
PubChem CID21024830
Molecular FormulaC60H38N4Pt2
Molecular Weight1205.15 g/mol
Exact Mass1204.24
IUPAC Namebenzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+))
SMILES[Pt+2].[Pt+2].[c-]1c(-c2nccc3ccccc23)cc(-c2cc(-c3nccc4ccccc34)[c-]c(-c3nccc4ccccc34)c2)cc1-c1nccc2ccccc12.[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/C48H28N4.2C6H5.2Pt/c1-5-13-41-31(9-1)17-21-49-45(41)37-25-35(26-38(29-37)46-42-14-6-2-10-32(42)18-22-50-46)36-27-39(47-43-15-7-3-11-33(43)19-23-51-47)30-40(28-36)48-44-16-8-4-12-34(44)20-24-52-48;2*1-2-4-6-5-3-1;;/h1-28H;2*1-5H;;/q-2;2*-1;2*+2
InChIKeySJXGCIPPDPBXID-UHFFFAOYSA-N
XLogP14.78
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001205.15
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+)) with MolForge

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Related Compounds

1-Pyridin-3-yl-9-[6-(1-pyridin-3-ylpyrido[3,4-b]indol-9-yl)hexyl]pyrido[3,4-b]indole
CID 71539945
9-(3-Phenylpropyl)-3-[[4-[[9-(3-phenylpropyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029591
Ni(ii) meso-tetra (4-pyridyl) porphine
CID 4129663
(2-(4-methyl-5-phenyl-2-pyridinyl-kappaN)phenyl-kappaC)bis(2-(2-pyridinyl-kappaN)phenyl-kappaC) Iridium
CID 59546880
Tris(2-(4-n-hexylphenyl)quinoline))iridium(III)
CID 101136485
N,N,N',N'-tetrakis(1-isoquinolylmethyl)ethylenediamine
CID 57713064
9-Benzyl-3-[[4-[(9-benzylpyrido[3,4-b]indol-3-yl)methyl]piperazin-1-yl]methyl]pyrido[3,4-b]indole
CID 127029327
meso-Tetra (4-pyridyl) porphine-Ni(II)
CID 166593494
5,10,15,20-Tetra(isoquinolin-3-yl)-21,23-dihydroporphyrin
CID 16158938
2,10-Dinaphthalen-1-yl-6,14-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene
CID 134962306
3-Pyridin-2-yl-1-(pyridin-2-ylmethyl)-5,6-dihydropyrrolo[2,1-a]isoquinoline
CID 162400374
Zn(II) meso-Tetra(4-pyridyl) Porphine
CID 4114917

Frequently Asked Questions

What is the IUPAC name of benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+))?
The IUPAC name of benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+)) (CID 21024830) is benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+)).
What is the SMILES notation for benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+))?
The canonical SMILES for benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+)) is [Pt+2].[Pt+2].[c-]1c(-c2nccc3ccccc23)cc(-c2cc(-c3nccc4ccccc34)[c-]c(-c3nccc4ccccc34)c2)cc1-c1nccc2ccccc12.[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+))?
The InChIKey is SJXGCIPPDPBXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4.2C6H5.2Pt/c1-5-13-41-31(9-1)17-21-49-45(41)37-25-35(26-38(29-37)46-42-14-6-2-10-32(42)18-22-50-46)36-27-39(47-43-15-7-3-11-33(43)19-23-51-47)30-40(28-36)48-44-16-8-4-12-34(44)20-24-52-48;2*1-2-4-6-5-3-1;;/h1-28H;2*1-5H;;/q-2;2*-1;2*+2.
What are the key properties of benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+))?
benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+)) has a molecular weight of 1205.15 g/mol, XLogP of 14.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-[3-[3,5-di(isoquinolin-1-yl)benzene-4-id-1-yl]-5-isoquinolin-1-ylbenzene-6-id-1-yl]isoquinoline;bis(platinum(2+)) is sourced from PubChem (CID 21024830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).