1-(4-bromophenyl)-2,3,4,5-tetraphenylpyridin-1-ium perchlorate

C35H25BrClNO4 — CID 56955557

IUPAC1-(4-bromophenyl)-2,3,4,5-tetraphenylpyridin-1-ium perchlorate
SMILESBrc1ccc(-[n+]2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C35H25BrN.ClHO4/c36-30-21-23-31(24-22-30)37-25-32(26-13-5-1-6-14-26)33(27-15-7-2-8-16-27)34(28-17-9-3-10-18-28)35(37)29-19-11-4-12-20-29;2-1(3,4)5/h1-25H;(H,2,3,4,5)/q+1;/p-1
InChIKeyQNDWEJQNONDMTC-UHFFFAOYSA-M
MW638.95 g/mol
LogP4.64
Rot. Bonds5

About 1-(4-bromophenyl)-2,3,4,5-tetraphenylpyridin-1-ium perchlorate

1-(4-bromophenyl)-2,3,4,5-tetraphenylpyridin-1-ium perchlorate (PubChem CID 56955557) has the molecular formula C35H25BrClNO4 and a molecular weight of 638.95 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,3,4,5-tetraphenylpyridin-1-ium perchlorate.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,3,4,5-tetraphenylpyridin-1-ium perchlorate
PubChem CID56955557
Molecular FormulaC35H25BrClNO4
Molecular Weight638.95 g/mol
Exact Mass637.07
IUPAC Name1-(4-bromophenyl)-2,3,4,5-tetraphenylpyridin-1-ium perchlorate
SMILESBrc1ccc(-[n+]2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C35H25BrN.ClHO4/c36-30-21-23-31(24-22-30)37-25-32(26-13-5-1-6-14-26)33(27-15-7-2-8-16-27)34(28-17-9-3-10-18-28)35(37)29-19-11-4-12-20-29;2-1(3,4)5/h1-25H;(H,2,3,4,5)/q+1;/p-1
InChIKeyQNDWEJQNONDMTC-UHFFFAOYSA-M
XLogP4.64
TPSA96.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500638.95
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

tris(1-methyl-2,3,4,5-tetraphenylpyridin-1-ium);borate
CID 159564234
3,4,5-triphenyl-1,3-oxazol-3-ium perchlorate
CID 12869629
2-(4-bromophenyl)-13-phenyl-2-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,17,19,21-nonaene
CID 12872732
4-[4-(2,4,5-triphenylpyridin-1-ium-1-yl)phenyl]aniline perchlorate
CID 56955523
2-(4-bromophenyl)-1,4-diphenylnaphthalene
CID 141481933
1,2,3-triphenylpyridin-1-ium chloride
CID 68518821
3-(4-bromophenyl)-4-phenylaniline
CID 142474025
phosphanium 2,3,4,5-tetraphenylphenolate
CID 87286180
lithium 2,3,4,5-tetraphenylphenolate
CID 122517105
4-bromo-2-chloro-1-phenylbenzene
CID 13457416
2-bromo-3,4-diphenylfuran
CID 141482587
2-[4-(4-bromophenyl)-2,6-diphenylphenyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate
CID 10746606

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,3,4,5-tetraphenylpyridin-1-ium perchlorate?
The IUPAC name of 1-(4-bromophenyl)-2,3,4,5-tetraphenylpyridin-1-ium perchlorate (CID 56955557) is 1-(4-bromophenyl)-2,3,4,5-tetraphenylpyridin-1-ium perchlorate.
What is the SMILES notation for 1-(4-bromophenyl)-2,3,4,5-tetraphenylpyridin-1-ium perchlorate?
The canonical SMILES for 1-(4-bromophenyl)-2,3,4,5-tetraphenylpyridin-1-ium perchlorate is Brc1ccc(-[n+]2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 1-(4-bromophenyl)-2,3,4,5-tetraphenylpyridin-1-ium perchlorate?
The InChIKey is QNDWEJQNONDMTC-UHFFFAOYSA-M. The full InChI is InChI=1S/C35H25BrN.ClHO4/c36-30-21-23-31(24-22-30)37-25-32(26-13-5-1-6-14-26)33(27-15-7-2-8-16-27)34(28-17-9-3-10-18-28)35(37)29-19-11-4-12-20-29;2-1(3,4)5/h1-25H;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 1-(4-bromophenyl)-2,3,4,5-tetraphenylpyridin-1-ium perchlorate?
1-(4-bromophenyl)-2,3,4,5-tetraphenylpyridin-1-ium perchlorate has a molecular weight of 638.95 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,3,4,5-tetraphenylpyridin-1-ium perchlorate is sourced from PubChem (CID 56955557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).