2-[2,6-bis(4-chlorophenyl)-4-phenylphenyl]-1-methylquinolin-1-ium perchlorate

C34H24Cl3NO4 — CID 10031768

IUPAC2-[2,6-bis(4-chlorophenyl)-4-phenylphenyl]-1-methylquinolin-1-ium perchlorate
SMILESC[n+]1c(-c2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)cc2-c2ccc(Cl)cc2)ccc2ccccc21.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C34H24Cl2N.ClHO4/c1-37-32-10-6-5-9-26(32)15-20-33(37)34-30(24-11-16-28(35)17-12-24)21-27(23-7-3-2-4-8-23)22-31(34)25-13-18-29(36)19-14-25;2-1(3,4)5/h2-22H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyWBECPCBXYMYWLK-UHFFFAOYSA-M
MW616.93 g/mol
LogP4.88
Rot. Bonds4

About 2-[2,6-bis(4-chlorophenyl)-4-phenylphenyl]-1-methylquinolin-1-ium perchlorate

2-[2,6-bis(4-chlorophenyl)-4-phenylphenyl]-1-methylquinolin-1-ium perchlorate (PubChem CID 10031768) has the molecular formula C34H24Cl3NO4 and a molecular weight of 616.93 g/mol. Its IUPAC name is 2-[2,6-bis(4-chlorophenyl)-4-phenylphenyl]-1-methylquinolin-1-ium perchlorate.

Molecular Properties

Compound Name2-[2,6-bis(4-chlorophenyl)-4-phenylphenyl]-1-methylquinolin-1-ium perchlorate
PubChem CID10031768
Molecular FormulaC34H24Cl3NO4
Molecular Weight616.93 g/mol
Exact Mass615.08
IUPAC Name2-[2,6-bis(4-chlorophenyl)-4-phenylphenyl]-1-methylquinolin-1-ium perchlorate
SMILESC[n+]1c(-c2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)cc2-c2ccc(Cl)cc2)ccc2ccccc21.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C34H24Cl2N.ClHO4/c1-37-32-10-6-5-9-26(32)15-20-33(37)34-30(24-11-16-28(35)17-12-24)21-27(23-7-3-2-4-8-23)22-31(34)25-13-18-29(36)19-14-25;2-1(3,4)5/h2-22H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyWBECPCBXYMYWLK-UHFFFAOYSA-M
XLogP4.88
TPSA96.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.93
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-[4-(4-methylphenyl)-2,6-diphenylphenyl]quinolin-1-ium perchlorate
CID 10347827
2-[4-(4-chlorophenyl)-2,6-diphenylphenyl]-3-methyl-4,5-dihydro-1,3-thiazol-3-ium perchlorate
CID 10840169
2-anthracen-9-yl-1-methylquinolin-1-ium bromide
CID 141313919
2-[4-(4-bromophenyl)-2,6-diphenylphenyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate
CID 10746606
2-[2-[4-(4-chlorophenyl)phenyl]phenyl]naphthalene
CID 178067173
1-chloro-4-(4-chlorophenyl)-2-phenylbenzene
CID 18410681
4-(4-chlorophenyl)-2,6-diphenylthiopyrylium perchlorate
CID 86223340
2-chloro-1,3-difluoro-5-(2,4,6-triphenylphenyl)benzene
CID 176875613
2-[4-(4-methoxyphenyl)-2,6-diphenylphenyl]-1-methylpyridin-1-ium
CID 10482035
2-(3,4,5-triphenylphenyl)naphthalene
CID 54408952
2-(3-chlorophenyl)-1,3,5-triphenylbenzene
CID 169275191
2-[6-(4,6-diphenylpyrimidin-2-yl)-3-methyldibenzofuran-4-yl]-1-methylquinolin-1-ium
CID 176787893

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(4-chlorophenyl)-4-phenylphenyl]-1-methylquinolin-1-ium perchlorate?
The IUPAC name of 2-[2,6-bis(4-chlorophenyl)-4-phenylphenyl]-1-methylquinolin-1-ium perchlorate (CID 10031768) is 2-[2,6-bis(4-chlorophenyl)-4-phenylphenyl]-1-methylquinolin-1-ium perchlorate.
What is the SMILES notation for 2-[2,6-bis(4-chlorophenyl)-4-phenylphenyl]-1-methylquinolin-1-ium perchlorate?
The canonical SMILES for 2-[2,6-bis(4-chlorophenyl)-4-phenylphenyl]-1-methylquinolin-1-ium perchlorate is C[n+]1c(-c2c(-c3ccc(Cl)cc3)cc(-c3ccccc3)cc2-c2ccc(Cl)cc2)ccc2ccccc21.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2-[2,6-bis(4-chlorophenyl)-4-phenylphenyl]-1-methylquinolin-1-ium perchlorate?
The InChIKey is WBECPCBXYMYWLK-UHFFFAOYSA-M. The full InChI is InChI=1S/C34H24Cl2N.ClHO4/c1-37-32-10-6-5-9-26(32)15-20-33(37)34-30(24-11-16-28(35)17-12-24)21-27(23-7-3-2-4-8-23)22-31(34)25-13-18-29(36)19-14-25;2-1(3,4)5/h2-22H,1H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 2-[2,6-bis(4-chlorophenyl)-4-phenylphenyl]-1-methylquinolin-1-ium perchlorate?
2-[2,6-bis(4-chlorophenyl)-4-phenylphenyl]-1-methylquinolin-1-ium perchlorate has a molecular weight of 616.93 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(4-chlorophenyl)-4-phenylphenyl]-1-methylquinolin-1-ium perchlorate is sourced from PubChem (CID 10031768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).