5-[4-[3-ethoxy-4-[2-ethoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine

C56H42N4O2 — CID 102299032

IUPAC5-[4-[3-ethoxy-4-[2-ethoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine
SMILESCCOc1c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc2c1-c1c(OCC)c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc12
InChIInChI=1S/C56H42N4O2/c1-3-61-55-47(39-23-19-37(20-24-39)43-27-29-51(59-35-43)49-17-9-11-31-57-49)33-41-13-5-7-15-45(41)53(55)54-46-16-8-6-14-42(46)34-48(56(54)62-4-2)40-25-21-38(22-26-40)44-28-30-52(60-36-44)50-18-10-12-32-58-50/h5-36H,3-4H2,1-2H3
InChIKeyRXNMARDFKCLYDC-UHFFFAOYSA-N
MW802.98 g/mol
LogP14.04
Rot. Bonds11

About 5-[4-[3-ethoxy-4-[2-ethoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine

5-[4-[3-ethoxy-4-[2-ethoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine (PubChem CID 102299032) has the molecular formula C56H42N4O2 and a molecular weight of 802.98 g/mol. Its IUPAC name is 5-[4-[3-ethoxy-4-[2-ethoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name5-[4-[3-ethoxy-4-[2-ethoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine
PubChem CID102299032
Molecular FormulaC56H42N4O2
Molecular Weight802.98 g/mol
Exact Mass802.33
IUPAC Name5-[4-[3-ethoxy-4-[2-ethoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine
SMILESCCOc1c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc2c1-c1c(OCC)c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc12
InChIInChI=1S/C56H42N4O2/c1-3-61-55-47(39-23-19-37(20-24-39)43-27-29-51(59-35-43)49-17-9-11-31-57-49)33-41-13-5-7-15-45(41)53(55)54-46-16-8-6-14-42(46)34-48(56(54)62-4-2)40-25-21-38(22-26-40)44-28-30-52(60-36-44)50-18-10-12-32-58-50/h5-36H,3-4H2,1-2H3
InChIKeyRXNMARDFKCLYDC-UHFFFAOYSA-N
XLogP14.04
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.98
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[4-[3-ethoxy-4-[2-ethoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine with MolForge

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Related Compounds

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6-Phenyl-7-(pyridin-4-ylmethoxy)isoquinoline
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3-[6-(Benzyloxy)-2-naphthyl]pyridine
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1-(4-Methoxyphenyl)-3-naphthalen-1-ylbenzo[f][1,7]naphthyridine
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5,11,17,23-Tetrakis(2-aminoethyl)-26,28-bis[[6-(5-methyl-2-pyridinyl)-3-pyridinyl]methoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol
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12-Oxa-23,26-diazahexacyclo[12.12.0.02,11.03,8.016,25.017,22]hexacosa-1(26),2(11),3,5,7,9,14,16(25),17,19,21,23-dodecaene
CID 132849955

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-ethoxy-4-[2-ethoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine?
The IUPAC name of 5-[4-[3-ethoxy-4-[2-ethoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine (CID 102299032) is 5-[4-[3-ethoxy-4-[2-ethoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine.
What is the SMILES notation for 5-[4-[3-ethoxy-4-[2-ethoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine?
The canonical SMILES for 5-[4-[3-ethoxy-4-[2-ethoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine is CCOc1c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc2c1-c1c(OCC)c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc12.
What is the InChIKey of 5-[4-[3-ethoxy-4-[2-ethoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine?
The InChIKey is RXNMARDFKCLYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N4O2/c1-3-61-55-47(39-23-19-37(20-24-39)43-27-29-51(59-35-43)49-17-9-11-31-57-49)33-41-13-5-7-15-45(41)53(55)54-46-16-8-6-14-42(46)34-48(56(54)62-4-2)40-25-21-38(22-26-40)44-28-30-52(60-36-44)50-18-10-12-32-58-50/h5-36H,3-4H2,1-2H3.
What are the key properties of 5-[4-[3-ethoxy-4-[2-ethoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine?
5-[4-[3-ethoxy-4-[2-ethoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine has a molecular weight of 802.98 g/mol, XLogP of 14.04, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-ethoxy-4-[2-ethoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine is sourced from PubChem (CID 102299032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).