4-[4-[1-(4-carboxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzoic acid;5-[4-[1-(5-hydroxynaphthalen-1-yl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]naphthalen-1-ol;4-[4-[1-(4-hydroxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenol;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium

C93H74N8O8+8 — CID 161182910

IUPAC4-[4-[1-(4-carboxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzoic acid;5-[4-[1-(5-hydroxynaphthalen-1-yl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]naphthalen-1-ol;4-[4-[1-(4-hydroxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenol;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium
SMILESC[n+]1ccc(-c2cc[n+](-c3ccccc3)cc2)cc1.O=C(O)c1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(C(=O)O)cc4)cc3)cc2)cc1.Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)cc4)cc3)cc2)cc1.Oc1cccc2c(-[n+]3ccc(-c4cc[n+](-c5cccc6c(O)cccc56)cc4)cc3)cccc12
InChIInChI=1S/C30H20N2O2.C24H16N2O4.C22H16N2O2.C17H16N2/c33-29-11-3-5-23-25(29)7-1-9-27(23)31-17-13-21(14-18-31)22-15-19-32(20-16-22)28-10-2-8-26-24(28)6-4-12-30(26)34;27-23(28)19-1-5-21(6-2-19)25-13-9-17(10-14-25)18-11-15-26(16-12-18)22-7-3-20(4-8-22)24(29)30;25-21-5-1-19(2-6-21)23-13-9-17(10-14-23)18-11-15-24(16-12-18)20-3-7-22(26)8-4-20;1-18-11-7-15(8-12-18)16-9-13-19(14-10-16)17-5-3-2-4-6-17/h1-20H;1-16H;1-16H;2-14H,1H3/q;;;+2/p+6
InChIKeyYAZXDCNVDHKVQX-UHFFFAOYSA-T
MW1431.66 g/mol
LogP14.70
Rot. Bonds13

About 4-[4-[1-(4-carboxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzoic acid;5-[4-[1-(5-hydroxynaphthalen-1-yl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]naphthalen-1-ol;4-[4-[1-(4-hydroxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenol;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium

4-[4-[1-(4-carboxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzoic acid;5-[4-[1-(5-hydroxynaphthalen-1-yl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]naphthalen-1-ol;4-[4-[1-(4-hydroxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenol;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium (PubChem CID 161182910) has the molecular formula C93H74N8O8+8 and a molecular weight of 1431.66 g/mol. Its IUPAC name is 4-[4-[1-(4-carboxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzoic acid;5-[4-[1-(5-hydroxynaphthalen-1-yl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]naphthalen-1-ol;4-[4-[1-(4-hydroxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenol;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium.

Molecular Properties

Compound Name4-[4-[1-(4-carboxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzoic acid;5-[4-[1-(5-hydroxynaphthalen-1-yl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]naphthalen-1-ol;4-[4-[1-(4-hydroxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenol;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium
PubChem CID161182910
Molecular FormulaC93H74N8O8+8
Molecular Weight1431.66 g/mol
Exact Mass1430.56
IUPAC Name4-[4-[1-(4-carboxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzoic acid;5-[4-[1-(5-hydroxynaphthalen-1-yl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]naphthalen-1-ol;4-[4-[1-(4-hydroxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenol;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium
SMILESC[n+]1ccc(-c2cc[n+](-c3ccccc3)cc2)cc1.O=C(O)c1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(C(=O)O)cc4)cc3)cc2)cc1.Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)cc4)cc3)cc2)cc1.Oc1cccc2c(-[n+]3ccc(-c4cc[n+](-c5cccc6c(O)cccc56)cc4)cc3)cccc12
InChIInChI=1S/C30H20N2O2.C24H16N2O4.C22H16N2O2.C17H16N2/c33-29-11-3-5-23-25(29)7-1-9-27(23)31-17-13-21(14-18-31)22-15-19-32(20-16-22)28-10-2-8-26-24(28)6-4-12-30(26)34;27-23(28)19-1-5-21(6-2-19)25-13-9-17(10-14-25)18-11-15-26(16-12-18)22-7-3-20(4-8-22)24(29)30;25-21-5-1-19(2-6-21)23-13-9-17(10-14-23)18-11-15-24(16-12-18)20-3-7-22(26)8-4-20;1-18-11-7-15(8-12-18)16-9-13-19(14-10-16)17-5-3-2-4-6-17/h1-20H;1-16H;1-16H;2-14H,1H3/q;;;+2/p+6
InChIKeyYAZXDCNVDHKVQX-UHFFFAOYSA-T
XLogP14.70
TPSA186.56 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001431.66
LogP ≤ 514.70
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-[1-(4-carboxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzoic acid;5-[4-[1-(5-hydroxynaphthalen-1-yl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]naphthalen-1-ol;4-[4-[1-(4-hydroxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenol;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-carboxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzoic acid;5-[4-[1-(5-hydroxynaphthalen-1-yl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]naphthalen-1-ol;4-[4-[1-(4-hydroxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenol;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium?
The IUPAC name of 4-[4-[1-(4-carboxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzoic acid;5-[4-[1-(5-hydroxynaphthalen-1-yl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]naphthalen-1-ol;4-[4-[1-(4-hydroxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenol;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium (CID 161182910) is 4-[4-[1-(4-carboxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzoic acid;5-[4-[1-(5-hydroxynaphthalen-1-yl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]naphthalen-1-ol;4-[4-[1-(4-hydroxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenol;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium.
What is the SMILES notation for 4-[4-[1-(4-carboxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzoic acid;5-[4-[1-(5-hydroxynaphthalen-1-yl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]naphthalen-1-ol;4-[4-[1-(4-hydroxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenol;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium?
The canonical SMILES for 4-[4-[1-(4-carboxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzoic acid;5-[4-[1-(5-hydroxynaphthalen-1-yl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]naphthalen-1-ol;4-[4-[1-(4-hydroxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenol;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium is C[n+]1ccc(-c2cc[n+](-c3ccccc3)cc2)cc1.O=C(O)c1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(C(=O)O)cc4)cc3)cc2)cc1.Oc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(O)cc4)cc3)cc2)cc1.Oc1cccc2c(-[n+]3ccc(-c4cc[n+](-c5cccc6c(O)cccc56)cc4)cc3)cccc12.
What is the InChIKey of 4-[4-[1-(4-carboxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzoic acid;5-[4-[1-(5-hydroxynaphthalen-1-yl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]naphthalen-1-ol;4-[4-[1-(4-hydroxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenol;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium?
The InChIKey is YAZXDCNVDHKVQX-UHFFFAOYSA-T. The full InChI is InChI=1S/C30H20N2O2.C24H16N2O4.C22H16N2O2.C17H16N2/c33-29-11-3-5-23-25(29)7-1-9-27(23)31-17-13-21(14-18-31)22-15-19-32(20-16-22)28-10-2-8-26-24(28)6-4-12-30(26)34;27-23(28)19-1-5-21(6-2-19)25-13-9-17(10-14-25)18-11-15-26(16-12-18)22-7-3-20(4-8-22)24(29)30;25-21-5-1-19(2-6-21)23-13-9-17(10-14-23)18-11-15-24(16-12-18)20-3-7-22(26)8-4-20;1-18-11-7-15(8-12-18)16-9-13-19(14-10-16)17-5-3-2-4-6-17/h1-20H;1-16H;1-16H;2-14H,1H3/q;;;+2/p+6.
What are the key properties of 4-[4-[1-(4-carboxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzoic acid;5-[4-[1-(5-hydroxynaphthalen-1-yl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]naphthalen-1-ol;4-[4-[1-(4-hydroxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenol;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium?
4-[4-[1-(4-carboxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzoic acid;5-[4-[1-(5-hydroxynaphthalen-1-yl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]naphthalen-1-ol;4-[4-[1-(4-hydroxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenol;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium has a molecular weight of 1431.66 g/mol, XLogP of 14.70, 13 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-carboxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzoic acid;5-[4-[1-(5-hydroxynaphthalen-1-yl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]naphthalen-1-ol;4-[4-[1-(4-hydroxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]phenol;1-methyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium is sourced from PubChem (CID 161182910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).