2,4-diphenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium

C30H23N2+ — CID 4267923

IUPAC2,4-diphenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium
SMILESc1ccc(-c2cc(-c3ccccc3)[n+](-c3ccccn3)c3c2CCc2ccccc2-3)cc1
InChIInChI=1S/C30H23N2/c1-3-11-22(12-4-1)27-21-28(24-14-5-2-6-15-24)32(29-17-9-10-20-31-29)30-25-16-8-7-13-23(25)18-19-26(27)30/h1-17,20-21H,18-19H2/q+1
InChIKeyKHERNJXCGXRTGO-UHFFFAOYSA-N
MW411.53 g/mol
LogP6.46
Rot. Bonds3

About 2,4-diphenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium

2,4-diphenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium (PubChem CID 4267923) has the molecular formula C30H23N2+ and a molecular weight of 411.53 g/mol. Its IUPAC name is 2,4-diphenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium.

Molecular Properties

Compound Name2,4-diphenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium
PubChem CID4267923
Molecular FormulaC30H23N2+
Molecular Weight411.53 g/mol
Exact Mass411.19
IUPAC Name2,4-diphenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium
SMILESc1ccc(-c2cc(-c3ccccc3)[n+](-c3ccccn3)c3c2CCc2ccccc2-3)cc1
InChIInChI=1S/C30H23N2/c1-3-11-22(12-4-1)27-21-28(24-14-5-2-6-15-24)32(29-17-9-10-20-31-29)30-25-16-8-7-13-23(25)18-19-26(27)30/h1-17,20-21H,18-19H2/q+1
InChIKeyKHERNJXCGXRTGO-UHFFFAOYSA-N
XLogP6.46
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.53
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloropropyl)-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium
CID 3266272
1-heptyl-2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium
CID 3797415
4-(4-methylphenyl)-2,6-diphenyl-1-pyridin-2-ylpyridin-1-ium perchlorate
CID 12627150
2-pyridin-2-yl-2-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,17,19,21-nonaene;trifluoromethanesulfonate
CID 44888296
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
2-(4-chlorophenyl)-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 3491592
ethyl 2-(2,4-diphenyl-5,6-dihydrobenzo[h]quinolin-1-ium-1-yl)acetate tetrafluoroborate
CID 12842371
2,4-diphenyl-5,6-dihydrobenzo[h]thiochromen-1-ium perchlorate
CID 3049739
2,4-diphenyl-5,6-dihydrobenzo[h]chromen-1-ium;fluoride;dihydrofluoride
CID 12872716
4-(4-chlorophenyl)-2-phenyl-5,6-dihydrobenzo[h]quinoline
CID 3736312
5-(1-benzyl-2-phenyl-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl)-2-methoxybenzenesulfonic acid perchlorate
CID 44888455
2-(13-phenyl-2-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,17,19,21-nonaen-2-yl)ethanamine
CID 3600714

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium?
The IUPAC name of 2,4-diphenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium (CID 4267923) is 2,4-diphenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium.
What is the SMILES notation for 2,4-diphenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium?
The canonical SMILES for 2,4-diphenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium is c1ccc(-c2cc(-c3ccccc3)[n+](-c3ccccn3)c3c2CCc2ccccc2-3)cc1.
What is the InChIKey of 2,4-diphenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium?
The InChIKey is KHERNJXCGXRTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N2/c1-3-11-22(12-4-1)27-21-28(24-14-5-2-6-15-24)32(29-17-9-10-20-31-29)30-25-16-8-7-13-23(25)18-19-26(27)30/h1-17,20-21H,18-19H2/q+1.
What are the key properties of 2,4-diphenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium?
2,4-diphenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium has a molecular weight of 411.53 g/mol, XLogP of 6.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-1-pyridin-2-yl-5,6-dihydrobenzo[h]quinolin-1-ium is sourced from PubChem (CID 4267923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).