dichloromethane;platinum(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-6-[9-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]fluoren-9-yl]pyridine

C30H16Cl2F6N8Pt — CID 139143108

IUPACdichloromethane;platinum(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-6-[9-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]fluoren-9-yl]pyridine
SMILESClCCl.FC(F)(F)c1n[n-]c(-c2cccc(C3(c4cccc(-c5nc(C(F)(F)F)n[n-]5)n4)c4ccccc4-c4ccccc43)n2)n1.[Pt+2]
InChIInChI=1S/C29H14F6N8.CH2Cl2.Pt/c30-28(31,32)25-38-23(40-42-25)19-11-5-13-21(36-19)27(17-9-3-1-7-15(17)16-8-2-4-10-18(16)27)22-14-6-12-20(37-22)24-39-26(43-41-24)29(33,34)35;2-1-3;/h1-14H;1H2;/q-2;;+2
InChIKeyDOWVARUSPFVHPO-UHFFFAOYSA-N
MW868.49 g/mol
LogP7.12
Rot. Bonds4

About dichloromethane;platinum(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-6-[9-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]fluoren-9-yl]pyridine

dichloromethane;platinum(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-6-[9-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]fluoren-9-yl]pyridine (PubChem CID 139143108) has the molecular formula C30H16Cl2F6N8Pt and a molecular weight of 868.49 g/mol. Its IUPAC name is dichloromethane;platinum(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-6-[9-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]fluoren-9-yl]pyridine.

Molecular Properties

Compound Namedichloromethane;platinum(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-6-[9-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]fluoren-9-yl]pyridine
PubChem CID139143108
Molecular FormulaC30H16Cl2F6N8Pt
Molecular Weight868.49 g/mol
Exact Mass867.04
IUPAC Namedichloromethane;platinum(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-6-[9-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]fluoren-9-yl]pyridine
SMILESClCCl.FC(F)(F)c1n[n-]c(-c2cccc(C3(c4cccc(-c5nc(C(F)(F)F)n[n-]5)n4)c4ccccc4-c4ccccc43)n2)n1.[Pt+2]
InChIInChI=1S/C29H14F6N8.CH2Cl2.Pt/c30-28(31,32)25-38-23(40-42-25)19-11-5-13-21(36-19)27(17-9-3-1-7-15(17)16-8-2-4-10-18(16)27)22-14-6-12-20(37-22)24-39-26(43-41-24)29(33,34)35;2-1-3;/h1-14H;1H2;/q-2;;+2
InChIKeyDOWVARUSPFVHPO-UHFFFAOYSA-N
XLogP7.12
TPSA105.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.49
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze dichloromethane;platinum(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-6-[9-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]fluoren-9-yl]pyridine with MolForge

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Related Compounds

carbazol-9-ide;platinum(2+);3-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]-4,5,6,7-tetrahydroindazol-2-ide
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2-bromo-6-[14-(6-bromo-2-pyridinyl)-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl]pyridine
CID 89409708
2-(2,4-difluoro-3-isocyanophenyl)-6-[9-[6-(2,4-difluoro-3-isocyanophenyl)-2-pyridinyl]fluoren-9-yl]pyridine
CID 140958340
2-phenyl-6-[9-(6-phenyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine
CID 71261610
2-(3-methylpyrazol-1-yl)-6-[9-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]fluoren-9-yl]pyridine
CID 58184826
CID 58568669
CID 58568669
2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 122218757
2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(trifluoromethyl)pyrimidine
CID 88890948
10,10-bis(6-bromo-2-pyridinyl)anthracen-9-one
CID 89409704
2-[3-phenyl-5-[6-(9-pyridin-2-ylfluoren-9-yl)-2-pyridinyl]phenyl]phenol
CID 140806096
2-(3-tert-butylbenzene-6-id-1-yl)-6-[9-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-(3,4-dimethylbenzene-6-id-1-yl)-6-[9-[6-(3,4-dimethylbenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;platinum;bis(platinum(2+));2-pyridin-2-yl-6-[9-(6-pyridin-2-yl-2-pyridinyl)fluoren-9-yl]pyridine
CID 158029976

Frequently Asked Questions

What is the IUPAC name of dichloromethane;platinum(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-6-[9-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]fluoren-9-yl]pyridine?
The IUPAC name of dichloromethane;platinum(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-6-[9-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]fluoren-9-yl]pyridine (CID 139143108) is dichloromethane;platinum(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-6-[9-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]fluoren-9-yl]pyridine.
What is the SMILES notation for dichloromethane;platinum(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-6-[9-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]fluoren-9-yl]pyridine?
The canonical SMILES for dichloromethane;platinum(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-6-[9-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]fluoren-9-yl]pyridine is ClCCl.FC(F)(F)c1n[n-]c(-c2cccc(C3(c4cccc(-c5nc(C(F)(F)F)n[n-]5)n4)c4ccccc4-c4ccccc43)n2)n1.[Pt+2].
What is the InChIKey of dichloromethane;platinum(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-6-[9-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]fluoren-9-yl]pyridine?
The InChIKey is DOWVARUSPFVHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H14F6N8.CH2Cl2.Pt/c30-28(31,32)25-38-23(40-42-25)19-11-5-13-21(36-19)27(17-9-3-1-7-15(17)16-8-2-4-10-18(16)27)22-14-6-12-20(37-22)24-39-26(43-41-24)29(33,34)35;2-1-3;/h1-14H;1H2;/q-2;;+2.
What are the key properties of dichloromethane;platinum(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-6-[9-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]fluoren-9-yl]pyridine?
dichloromethane;platinum(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-6-[9-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]fluoren-9-yl]pyridine has a molecular weight of 868.49 g/mol, XLogP of 7.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;platinum(2+);2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-6-[9-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]fluoren-9-yl]pyridine is sourced from PubChem (CID 139143108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).