4-(9,10-dinaphthalen-2-yl-6-phenoxyanthracen-2-yl)-2,6-dipyridin-2-ylpyridine

C55H35N3O — CID 90361761

IUPAC4-(9,10-dinaphthalen-2-yl-6-phenoxyanthracen-2-yl)-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(Oc2ccc3c(-c4ccc5ccccc5c4)c4cc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C55H35N3O/c1-2-16-44(17-3-1)59-45-25-27-47-49(35-45)55(42-23-21-37-13-5-7-15-39(37)31-42)46-26-24-40(32-48(46)54(47)41-22-20-36-12-4-6-14-38(36)30-41)43-33-52(50-18-8-10-28-56-50)58-53(34-43)51-19-9-11-29-57-51/h1-35H
InChIKeyUFCZGHSVGNWVFP-UHFFFAOYSA-N
MW753.91 g/mol
LogP14.61
Rot. Bonds7

About 4-(9,10-dinaphthalen-2-yl-6-phenoxyanthracen-2-yl)-2,6-dipyridin-2-ylpyridine

4-(9,10-dinaphthalen-2-yl-6-phenoxyanthracen-2-yl)-2,6-dipyridin-2-ylpyridine (PubChem CID 90361761) has the molecular formula C55H35N3O and a molecular weight of 753.91 g/mol. Its IUPAC name is 4-(9,10-dinaphthalen-2-yl-6-phenoxyanthracen-2-yl)-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(9,10-dinaphthalen-2-yl-6-phenoxyanthracen-2-yl)-2,6-dipyridin-2-ylpyridine
PubChem CID90361761
Molecular FormulaC55H35N3O
Molecular Weight753.91 g/mol
Exact Mass753.28
IUPAC Name4-(9,10-dinaphthalen-2-yl-6-phenoxyanthracen-2-yl)-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(Oc2ccc3c(-c4ccc5ccccc5c4)c4cc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C55H35N3O/c1-2-16-44(17-3-1)59-45-25-27-47-49(35-45)55(42-23-21-37-13-5-7-15-39(37)31-42)46-26-24-40(32-48(46)54(47)41-22-20-36-12-4-6-14-38(36)30-41)43-33-52(50-18-8-10-28-56-50)58-53(34-43)51-19-9-11-29-57-51/h1-35H
InChIKeyUFCZGHSVGNWVFP-UHFFFAOYSA-N
XLogP14.61
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.91
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2,6-diphenylpyridine
CID 90361557
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
CID 90361875
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]pyridine
CID 118487428
4-(6-phenanthren-9-ylnaphthalen-2-yl)-2,6-dipyridin-2-ylpyridine
CID 166685120
4-[10-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-9-yl]-2,6-dipyridin-2-ylpyridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine;2,4,6-tripyridin-2-ylpyridine
CID 161380228
2-(9,10-diphenylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 59722108
2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 171724335
10-(2,6-dipyridin-2-yl-4-pyridinyl)-7-phenylbenzo[c]acridine
CID 166056922
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine;7-(10-naphthalen-2-ylanthracen-9-yl)-2,3-dipyridin-2-ylimidazo[1,2-f]phenanthridine
CID 161138808

Frequently Asked Questions

What is the IUPAC name of 4-(9,10-dinaphthalen-2-yl-6-phenoxyanthracen-2-yl)-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-(9,10-dinaphthalen-2-yl-6-phenoxyanthracen-2-yl)-2,6-dipyridin-2-ylpyridine (CID 90361761) is 4-(9,10-dinaphthalen-2-yl-6-phenoxyanthracen-2-yl)-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-(9,10-dinaphthalen-2-yl-6-phenoxyanthracen-2-yl)-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-(9,10-dinaphthalen-2-yl-6-phenoxyanthracen-2-yl)-2,6-dipyridin-2-ylpyridine is c1ccc(Oc2ccc3c(-c4ccc5ccccc5c4)c4cc(-c5cc(-c6ccccn6)nc(-c6ccccn6)c5)ccc4c(-c4ccc5ccccc5c4)c3c2)cc1.
What is the InChIKey of 4-(9,10-dinaphthalen-2-yl-6-phenoxyanthracen-2-yl)-2,6-dipyridin-2-ylpyridine?
The InChIKey is UFCZGHSVGNWVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O/c1-2-16-44(17-3-1)59-45-25-27-47-49(35-45)55(42-23-21-37-13-5-7-15-39(37)31-42)46-26-24-40(32-48(46)54(47)41-22-20-36-12-4-6-14-38(36)30-41)43-33-52(50-18-8-10-28-56-50)58-53(34-43)51-19-9-11-29-57-51/h1-35H.
What are the key properties of 4-(9,10-dinaphthalen-2-yl-6-phenoxyanthracen-2-yl)-2,6-dipyridin-2-ylpyridine?
4-(9,10-dinaphthalen-2-yl-6-phenoxyanthracen-2-yl)-2,6-dipyridin-2-ylpyridine has a molecular weight of 753.91 g/mol, XLogP of 14.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,10-dinaphthalen-2-yl-6-phenoxyanthracen-2-yl)-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 90361761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).