[4-[dimethyl-[(4-phenylphenyl)methyl]azaniumyl]phenyl]-dimethyl-[(4-phenylphenyl)methyl]azanium

C36H38N2+2 — CID 154623453

IUPAC[4-[dimethyl-[(4-phenylphenyl)methyl]azaniumyl]phenyl]-dimethyl-[(4-phenylphenyl)methyl]azanium
SMILESC[N+](C)(Cc1ccc(-c2ccccc2)cc1)c1ccc([N+](C)(C)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C36H38N2/c1-37(2,27-29-15-19-33(20-16-29)31-11-7-5-8-12-31)35-23-25-36(26-24-35)38(3,4)28-30-17-21-34(22-18-30)32-13-9-6-10-14-32/h5-26H,27-28H2,1-4H3/q+2
InChIKeyJUYRTZKQGCBGSH-UHFFFAOYSA-N
MW498.71 g/mol
LogP8.55
Rot. Bonds8

About [4-[dimethyl-[(4-phenylphenyl)methyl]azaniumyl]phenyl]-dimethyl-[(4-phenylphenyl)methyl]azanium

[4-[dimethyl-[(4-phenylphenyl)methyl]azaniumyl]phenyl]-dimethyl-[(4-phenylphenyl)methyl]azanium (PubChem CID 154623453) has the molecular formula C36H38N2+2 and a molecular weight of 498.71 g/mol. Its IUPAC name is [4-[dimethyl-[(4-phenylphenyl)methyl]azaniumyl]phenyl]-dimethyl-[(4-phenylphenyl)methyl]azanium.

Molecular Properties

Compound Name[4-[dimethyl-[(4-phenylphenyl)methyl]azaniumyl]phenyl]-dimethyl-[(4-phenylphenyl)methyl]azanium
PubChem CID154623453
Molecular FormulaC36H38N2+2
Molecular Weight498.71 g/mol
Exact Mass498.30
IUPAC Name[4-[dimethyl-[(4-phenylphenyl)methyl]azaniumyl]phenyl]-dimethyl-[(4-phenylphenyl)methyl]azanium
SMILESC[N+](C)(Cc1ccc(-c2ccccc2)cc1)c1ccc([N+](C)(C)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C36H38N2/c1-37(2,27-29-15-19-33(20-16-29)31-11-7-5-8-12-31)35-23-25-36(26-24-35)38(3,4)28-30-17-21-34(22-18-30)32-13-9-6-10-14-32/h5-26H,27-28H2,1-4H3/q+2
InChIKeyJUYRTZKQGCBGSH-UHFFFAOYSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.71
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dimethyl-[(4-methylphenyl)methyl]-phenylazanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 142413098
benzyl-dimethyl-phenylazanium;oxalic acid
CID 154975848
(4-dodecylphenyl)methyl-dimethyl-phenylazanium chloride
CID 23338408
benzyl-dimethyl-(4-methylphenyl)azanium;trifluoromethanesulfonate
CID 87126496
dimethyl-(4-methylphenyl)-[(6-phenyl-1,2,4,5-tetrazin-3-yl)methyl]azanium
CID 176883549
dimethyl-[(4-octadecoxyphenyl)methyl]-phenylazanium
CID 22342083
dimethyl-[(4-octadecoxyphenyl)methyl]-phenylazanium tetrafluoroborate
CID 22342152
benzyl-dimethyl-phenylazanium;N-methylbenzenesulfonamide
CID 158280151
benzyl-[3-(hydroxymethyl)phenyl]-dimethylazanium
CID 91381608
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
bis(1,1'-biphenyl);sulfane
CID 22247507

Frequently Asked Questions

What is the IUPAC name of [4-[dimethyl-[(4-phenylphenyl)methyl]azaniumyl]phenyl]-dimethyl-[(4-phenylphenyl)methyl]azanium?
The IUPAC name of [4-[dimethyl-[(4-phenylphenyl)methyl]azaniumyl]phenyl]-dimethyl-[(4-phenylphenyl)methyl]azanium (CID 154623453) is [4-[dimethyl-[(4-phenylphenyl)methyl]azaniumyl]phenyl]-dimethyl-[(4-phenylphenyl)methyl]azanium.
What is the SMILES notation for [4-[dimethyl-[(4-phenylphenyl)methyl]azaniumyl]phenyl]-dimethyl-[(4-phenylphenyl)methyl]azanium?
The canonical SMILES for [4-[dimethyl-[(4-phenylphenyl)methyl]azaniumyl]phenyl]-dimethyl-[(4-phenylphenyl)methyl]azanium is C[N+](C)(Cc1ccc(-c2ccccc2)cc1)c1ccc([N+](C)(C)Cc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[dimethyl-[(4-phenylphenyl)methyl]azaniumyl]phenyl]-dimethyl-[(4-phenylphenyl)methyl]azanium?
The InChIKey is JUYRTZKQGCBGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N2/c1-37(2,27-29-15-19-33(20-16-29)31-11-7-5-8-12-31)35-23-25-36(26-24-35)38(3,4)28-30-17-21-34(22-18-30)32-13-9-6-10-14-32/h5-26H,27-28H2,1-4H3/q+2.
What are the key properties of [4-[dimethyl-[(4-phenylphenyl)methyl]azaniumyl]phenyl]-dimethyl-[(4-phenylphenyl)methyl]azanium?
[4-[dimethyl-[(4-phenylphenyl)methyl]azaniumyl]phenyl]-dimethyl-[(4-phenylphenyl)methyl]azanium has a molecular weight of 498.71 g/mol, XLogP of 8.55, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethyl-[(4-phenylphenyl)methyl]azaniumyl]phenyl]-dimethyl-[(4-phenylphenyl)methyl]azanium is sourced from PubChem (CID 154623453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).