1-phenyl-4-[1-[4-[4-[4-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium

C56H42N4O2+4 — CID 59839185

IUPAC1-phenyl-4-[1-[4-[4-[4-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium
SMILESc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(Oc5ccc(-c6ccc(Oc7ccc(-[n+]8ccc(-c9cc[n+](-c%10ccccc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H42N4O2/c1-3-7-49(8-4-1)57-35-27-45(28-36-57)47-31-39-59(40-32-47)51-15-23-55(24-16-51)61-53-19-11-43(12-20-53)44-13-21-54(22-14-44)62-56-25-17-52(18-26-56)60-41-33-48(34-42-60)46-29-37-58(38-30-46)50-9-5-2-6-10-50/h1-42H/q+4
InChIKeyFZCNTPPUQUXIAV-UHFFFAOYSA-N
MW802.98 g/mol
LogP11.38
Rot. Bonds11

About 1-phenyl-4-[1-[4-[4-[4-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium

1-phenyl-4-[1-[4-[4-[4-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium (PubChem CID 59839185) has the molecular formula C56H42N4O2+4 and a molecular weight of 802.98 g/mol. Its IUPAC name is 1-phenyl-4-[1-[4-[4-[4-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium.

Molecular Properties

Compound Name1-phenyl-4-[1-[4-[4-[4-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium
PubChem CID59839185
Molecular FormulaC56H42N4O2+4
Molecular Weight802.98 g/mol
Exact Mass802.33
IUPAC Name1-phenyl-4-[1-[4-[4-[4-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium
SMILESc1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(Oc5ccc(-c6ccc(Oc7ccc(-[n+]8ccc(-c9cc[n+](-c%10ccccc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C56H42N4O2/c1-3-7-49(8-4-1)57-35-27-45(28-36-57)47-31-39-59(40-32-47)51-15-23-55(24-16-51)61-53-19-11-43(12-20-53)44-13-21-54(22-14-44)62-56-25-17-52(18-26-56)60-41-33-48(34-42-60)46-29-37-58(38-30-46)50-9-5-2-6-10-50/h1-42H/q+4
InChIKeyFZCNTPPUQUXIAV-UHFFFAOYSA-N
XLogP11.38
TPSA33.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.98
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-phenyl-4-[1-[4-[4-[4-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[1-[4-[4-[4-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium?
The IUPAC name of 1-phenyl-4-[1-[4-[4-[4-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium (CID 59839185) is 1-phenyl-4-[1-[4-[4-[4-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium.
What is the SMILES notation for 1-phenyl-4-[1-[4-[4-[4-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium?
The canonical SMILES for 1-phenyl-4-[1-[4-[4-[4-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium is c1ccc(-[n+]2ccc(-c3cc[n+](-c4ccc(Oc5ccc(-c6ccc(Oc7ccc(-[n+]8ccc(-c9cc[n+](-c%10ccccc%10)cc9)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-phenyl-4-[1-[4-[4-[4-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium?
The InChIKey is FZCNTPPUQUXIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N4O2/c1-3-7-49(8-4-1)57-35-27-45(28-36-57)47-31-39-59(40-32-47)51-15-23-55(24-16-51)61-53-19-11-43(12-20-53)44-13-21-54(22-14-44)62-56-25-17-52(18-26-56)60-41-33-48(34-42-60)46-29-37-58(38-30-46)50-9-5-2-6-10-50/h1-42H/q+4.
What are the key properties of 1-phenyl-4-[1-[4-[4-[4-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium?
1-phenyl-4-[1-[4-[4-[4-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium has a molecular weight of 802.98 g/mol, XLogP of 11.38, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[1-[4-[4-[4-[4-[4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]phenoxy]phenyl]phenoxy]phenyl]pyridin-1-ium-4-yl]pyridin-1-ium is sourced from PubChem (CID 59839185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).