1-(3-phenylphenyl)-4-[1-(3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium

C34H26N2+2 — CID 59650412

IUPAC1-(3-phenylphenyl)-4-[1-(3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium
SMILESc1ccc(-c2cccc(-[n+]3ccc(-c4cc[n+](-c5cccc(-c6ccccc6)c5)cc4)cc3)c2)cc1
InChIInChI=1S/C34H26N2/c1-3-9-27(10-4-1)31-13-7-15-33(25-31)35-21-17-29(18-22-35)30-19-23-36(24-20-30)34-16-8-14-32(26-34)28-11-5-2-6-12-28/h1-26H/q+2
InChIKeyTXMTYALJAZNYBR-UHFFFAOYSA-N
MW462.60 g/mol
LogP7.24
Rot. Bonds5

About 1-(3-phenylphenyl)-4-[1-(3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium

1-(3-phenylphenyl)-4-[1-(3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium (PubChem CID 59650412) has the molecular formula C34H26N2+2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 1-(3-phenylphenyl)-4-[1-(3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium.

Molecular Properties

Compound Name1-(3-phenylphenyl)-4-[1-(3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium
PubChem CID59650412
Molecular FormulaC34H26N2+2
Molecular Weight462.60 g/mol
Exact Mass462.21
IUPAC Name1-(3-phenylphenyl)-4-[1-(3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium
SMILESc1ccc(-c2cccc(-[n+]3ccc(-c4cc[n+](-c5cccc(-c6ccccc6)c5)cc4)cc3)c2)cc1
InChIInChI=1S/C34H26N2/c1-3-9-27(10-4-1)31-13-7-15-33(25-31)35-21-17-29(18-22-35)30-19-23-36(24-20-30)34-16-8-14-32(26-34)28-11-5-2-6-12-28/h1-26H/q+2
InChIKeyTXMTYALJAZNYBR-UHFFFAOYSA-N
XLogP7.24
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.60
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(3-phenylphenyl)pyridin-1-ium
CID 150902257
1-(3-benzylphenyl)-4-[1-(3-benzylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium
CID 122471075
1-phenyl-4-[1-[3-[[3-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenyl]methyl]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 59839156
1-(3-tert-butylphenyl)-4-[1-(3-tert-butylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium ditetrafluoroborate
CID 140733809
[3-[4-[1-(3-boronophenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenyl]boronic acid
CID 59650415
1-methyl-4-[1-[4-(4-phenylphenyl)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 102138049
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1-phenyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium
CID 71338558
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylphenyl)-4-[1-(3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium?
The IUPAC name of 1-(3-phenylphenyl)-4-[1-(3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium (CID 59650412) is 1-(3-phenylphenyl)-4-[1-(3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium.
What is the SMILES notation for 1-(3-phenylphenyl)-4-[1-(3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium?
The canonical SMILES for 1-(3-phenylphenyl)-4-[1-(3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium is c1ccc(-c2cccc(-[n+]3ccc(-c4cc[n+](-c5cccc(-c6ccccc6)c5)cc4)cc3)c2)cc1.
What is the InChIKey of 1-(3-phenylphenyl)-4-[1-(3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium?
The InChIKey is TXMTYALJAZNYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2/c1-3-9-27(10-4-1)31-13-7-15-33(25-31)35-21-17-29(18-22-35)30-19-23-36(24-20-30)34-16-8-14-32(26-34)28-11-5-2-6-12-28/h1-26H/q+2.
What are the key properties of 1-(3-phenylphenyl)-4-[1-(3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium?
1-(3-phenylphenyl)-4-[1-(3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium has a molecular weight of 462.60 g/mol, XLogP of 7.24, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylphenyl)-4-[1-(3-phenylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium is sourced from PubChem (CID 59650412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).