2,9-bis(4-methylphenyl)-1,10-phenanthroline;carbanide;ethane;tungsten(2+)

C30H32N2W — CID 159989944

IUPAC2,9-bis(4-methylphenyl)-1,10-phenanthroline;carbanide;ethane;tungsten(2+)
SMILESCC.Cc1ccc(-c2ccc3ccc4ccc(-c5ccc(C)cc5)nc4c3n2)cc1.[CH3-].[CH3-].[W+2]
InChIInChI=1S/C26H20N2.C2H6.2CH3.W/c1-17-3-7-19(8-4-17)23-15-13-21-11-12-22-14-16-24(28-26(22)25(21)27-23)20-9-5-18(2)6-10-20;1-2;;;/h3-16H,1-2H3;1-2H3;2*1H3;/q;;2*-1;+2
InChIKeyOGVBIDVFUQRJDP-UHFFFAOYSA-N
MW604.44 g/mol
LogP8.66
Rot. Bonds2

About 2,9-bis(4-methylphenyl)-1,10-phenanthroline;carbanide;ethane;tungsten(2+)

2,9-bis(4-methylphenyl)-1,10-phenanthroline;carbanide;ethane;tungsten(2+) (PubChem CID 159989944) has the molecular formula C30H32N2W and a molecular weight of 604.44 g/mol. Its IUPAC name is 2,9-bis(4-methylphenyl)-1,10-phenanthroline;carbanide;ethane;tungsten(2+).

Molecular Properties

Compound Name2,9-bis(4-methylphenyl)-1,10-phenanthroline;carbanide;ethane;tungsten(2+)
PubChem CID159989944
Molecular FormulaC30H32N2W
Molecular Weight604.44 g/mol
Exact Mass604.21
IUPAC Name2,9-bis(4-methylphenyl)-1,10-phenanthroline;carbanide;ethane;tungsten(2+)
SMILESCC.Cc1ccc(-c2ccc3ccc4ccc(-c5ccc(C)cc5)nc4c3n2)cc1.[CH3-].[CH3-].[W+2]
InChIInChI=1S/C26H20N2.C2H6.2CH3.W/c1-17-3-7-19(8-4-17)23-15-13-21-11-12-22-14-16-24(28-26(22)25(21)27-23)20-9-5-18(2)6-10-20;1-2;;;/h3-16H,1-2H3;1-2H3;2*1H3;/q;;2*-1;+2
InChIKeyOGVBIDVFUQRJDP-UHFFFAOYSA-N
XLogP8.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.44
LogP ≤ 58.66
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'}

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Related Compounds

2-(4-methylphenyl)-9-[4-[4-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenoxy]phenyl]-1,10-phenanthroline
CID 10865412
2-methyl-9-[4-[4-(9-methyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 59010507
[2-(4-methylphenyl)quinolin-8-yl]phosphane
CID 140733063
2-(4-methylphenyl)-9-[3-[9-(4-methylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-naphthalen-2-yl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 165103178
9-(3,5-dimethylphenyl)-2-[4-[9-(3,5-dimethylphenyl)benzo[h]quinolin-2-yl]phenyl]benzo[h]quinoline
CID 59010491
2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline
CID 59010486
2-(4-iodophenyl)-8-methylquinoline
CID 125497022
2-phenyl-9-[4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010455
2-phenyl-9-[4-[2-[2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010512
2-phenyl-9-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline
CID 134596769
2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline
CID 134596708
2-methyl-9-[4-[2-[3-[4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]butoxy]propoxy]ethoxy]phenyl]-1,10-phenanthroline
CID 58954181

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(4-methylphenyl)-1,10-phenanthroline;carbanide;ethane;tungsten(2+)?
The IUPAC name of 2,9-bis(4-methylphenyl)-1,10-phenanthroline;carbanide;ethane;tungsten(2+) (CID 159989944) is 2,9-bis(4-methylphenyl)-1,10-phenanthroline;carbanide;ethane;tungsten(2+).
What is the SMILES notation for 2,9-bis(4-methylphenyl)-1,10-phenanthroline;carbanide;ethane;tungsten(2+)?
The canonical SMILES for 2,9-bis(4-methylphenyl)-1,10-phenanthroline;carbanide;ethane;tungsten(2+) is CC.Cc1ccc(-c2ccc3ccc4ccc(-c5ccc(C)cc5)nc4c3n2)cc1.[CH3-].[CH3-].[W+2].
What is the InChIKey of 2,9-bis(4-methylphenyl)-1,10-phenanthroline;carbanide;ethane;tungsten(2+)?
The InChIKey is OGVBIDVFUQRJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2.C2H6.2CH3.W/c1-17-3-7-19(8-4-17)23-15-13-21-11-12-22-14-16-24(28-26(22)25(21)27-23)20-9-5-18(2)6-10-20;1-2;;;/h3-16H,1-2H3;1-2H3;2*1H3;/q;;2*-1;+2.
What are the key properties of 2,9-bis(4-methylphenyl)-1,10-phenanthroline;carbanide;ethane;tungsten(2+)?
2,9-bis(4-methylphenyl)-1,10-phenanthroline;carbanide;ethane;tungsten(2+) has a molecular weight of 604.44 g/mol, XLogP of 8.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(4-methylphenyl)-1,10-phenanthroline;carbanide;ethane;tungsten(2+) is sourced from PubChem (CID 159989944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).