2-[(1Z)-buta-1,3-dienyl]-1-methylnaphthalene;carbanide;4,7-diphenyl-1,10-phenanthroline;platinum(2+);propane

C44H44N2Pt — CID 168990348

IUPAC2-[(1Z)-buta-1,3-dienyl]-1-methylnaphthalene;carbanide;4,7-diphenyl-1,10-phenanthroline;platinum(2+);propane
SMILESC=C/C=C\c1ccc2ccccc2c1C.CCC.[CH3-].[CH3-].[Pt+2].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H16N2.C15H14.C3H8.2CH3.Pt/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-3-4-7-13-10-11-14-8-5-6-9-15(14)12(13)2;1-3-2;;;/h1-16H;3-11H,1H2,2H3;3H2,1-2H3;2*1H3;/q;;;2*-1;+2/b;7-4-;;;;
InChIKeyGFIFRFJNKSZXAI-CWXGRSLYSA-N
MW795.93 g/mol
LogP12.78
Rot. Bonds4

About 2-[(1Z)-buta-1,3-dienyl]-1-methylnaphthalene;carbanide;4,7-diphenyl-1,10-phenanthroline;platinum(2+);propane

2-[(1Z)-buta-1,3-dienyl]-1-methylnaphthalene;carbanide;4,7-diphenyl-1,10-phenanthroline;platinum(2+);propane (PubChem CID 168990348) has the molecular formula C44H44N2Pt and a molecular weight of 795.93 g/mol. Its IUPAC name is 2-[(1Z)-buta-1,3-dienyl]-1-methylnaphthalene;carbanide;4,7-diphenyl-1,10-phenanthroline;platinum(2+);propane.

Molecular Properties

Compound Name2-[(1Z)-buta-1,3-dienyl]-1-methylnaphthalene;carbanide;4,7-diphenyl-1,10-phenanthroline;platinum(2+);propane
PubChem CID168990348
Molecular FormulaC44H44N2Pt
Molecular Weight795.93 g/mol
Exact Mass795.32
IUPAC Name2-[(1Z)-buta-1,3-dienyl]-1-methylnaphthalene;carbanide;4,7-diphenyl-1,10-phenanthroline;platinum(2+);propane
SMILESC=C/C=C\c1ccc2ccccc2c1C.CCC.[CH3-].[CH3-].[Pt+2].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H16N2.C15H14.C3H8.2CH3.Pt/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-3-4-7-13-10-11-14-8-5-6-9-15(14)12(13)2;1-3-2;;;/h1-16H;3-11H,1H2,2H3;3H2,1-2H3;2*1H3;/q;;;2*-1;+2/b;7-4-;;;;
InChIKeyGFIFRFJNKSZXAI-CWXGRSLYSA-N
XLogP12.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.93
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride
CID 21087820
2-(9-methylanthracen-1-yl)-4,7-diphenyl-1,10-phenanthroline
CID 87838728
tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride
CID 173290116
4,7-diphenyl-1,10-phenanthroline;ruthenium;dihydrochloride
CID 173105288
dichloro(diethyl)stannane;4,7-diphenyl-1,10-phenanthroline
CID 4574299
tris(4,7-diphenyl-1,10-phenanthroline);fluorophosphonic acid
CID 173166760
3-[(1Z)-buta-1,3-dienyl]-2-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]-7-fluoro-4-methylacridine
CID 163679921
dichlororhodium(1+);bis(4,7-diphenyl-1,10-phenanthroline);chloride
CID 173138363
2-(2-tert-butylanthracen-9-yl)-4,7-diphenyl-1,10-phenanthroline
CID 58813351
4,7-diphenyl-2-propyl-1,10-phenanthroline
CID 123268572
4,7-diphenyl-2-quinolin-2-yl-1,10-phenanthroline
CID 70909452
4-chloro-7-phenyl-1,10-phenanthroline
CID 171832712

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z)-buta-1,3-dienyl]-1-methylnaphthalene;carbanide;4,7-diphenyl-1,10-phenanthroline;platinum(2+);propane?
The IUPAC name of 2-[(1Z)-buta-1,3-dienyl]-1-methylnaphthalene;carbanide;4,7-diphenyl-1,10-phenanthroline;platinum(2+);propane (CID 168990348) is 2-[(1Z)-buta-1,3-dienyl]-1-methylnaphthalene;carbanide;4,7-diphenyl-1,10-phenanthroline;platinum(2+);propane.
What is the SMILES notation for 2-[(1Z)-buta-1,3-dienyl]-1-methylnaphthalene;carbanide;4,7-diphenyl-1,10-phenanthroline;platinum(2+);propane?
The canonical SMILES for 2-[(1Z)-buta-1,3-dienyl]-1-methylnaphthalene;carbanide;4,7-diphenyl-1,10-phenanthroline;platinum(2+);propane is C=C/C=C\c1ccc2ccccc2c1C.CCC.[CH3-].[CH3-].[Pt+2].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of 2-[(1Z)-buta-1,3-dienyl]-1-methylnaphthalene;carbanide;4,7-diphenyl-1,10-phenanthroline;platinum(2+);propane?
The InChIKey is GFIFRFJNKSZXAI-CWXGRSLYSA-N. The full InChI is InChI=1S/C24H16N2.C15H14.C3H8.2CH3.Pt/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;1-3-4-7-13-10-11-14-8-5-6-9-15(14)12(13)2;1-3-2;;;/h1-16H;3-11H,1H2,2H3;3H2,1-2H3;2*1H3;/q;;;2*-1;+2/b;7-4-;;;;.
What are the key properties of 2-[(1Z)-buta-1,3-dienyl]-1-methylnaphthalene;carbanide;4,7-diphenyl-1,10-phenanthroline;platinum(2+);propane?
2-[(1Z)-buta-1,3-dienyl]-1-methylnaphthalene;carbanide;4,7-diphenyl-1,10-phenanthroline;platinum(2+);propane has a molecular weight of 795.93 g/mol, XLogP of 12.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z)-buta-1,3-dienyl]-1-methylnaphthalene;carbanide;4,7-diphenyl-1,10-phenanthroline;platinum(2+);propane is sourced from PubChem (CID 168990348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).