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

C76H82N4O2 — CID 102299035

IUPAC5-[4-[3-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine
SMILESCCCCCCCCCCCCOc1c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc2c1-c1c(OCCCCCCCCCCCC)c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc12
InChIInChI=1S/C76H82N4O2/c1-3-5-7-9-11-13-15-17-19-29-51-81-75-67(59-41-37-57(38-42-59)63-45-47-71(79-55-63)69-35-25-27-49-77-69)53-61-31-21-23-33-65(61)73(75)74-66-34-24-22-32-62(66)54-68(76(74)82-52-30-20-18-16-14-12-10-8-6-4-2)60-43-39-58(40-44-60)64-46-48-72(80-56-64)70-36-26-28-50-78-70/h21-28,31-50,53-56H,3-20,29-30,51-52H2,1-2H3
InChIKeyZIXYFQYDNMEQJM-UHFFFAOYSA-N
MW1083.52 g/mol
LogP21.84
Rot. Bonds31

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

5-[4-[3-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine (PubChem CID 102299035) has the molecular formula C76H82N4O2 and a molecular weight of 1083.52 g/mol. Its IUPAC name is 5-[4-[3-dodecoxy-4-[2-dodecoxy-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-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine
PubChem CID102299035
Molecular FormulaC76H82N4O2
Molecular Weight1083.52 g/mol
Exact Mass1082.64
IUPAC Name5-[4-[3-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine
SMILESCCCCCCCCCCCCOc1c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc2c1-c1c(OCCCCCCCCCCCC)c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc12
InChIInChI=1S/C76H82N4O2/c1-3-5-7-9-11-13-15-17-19-29-51-81-75-67(59-41-37-57(38-42-59)63-45-47-71(79-55-63)69-35-25-27-49-77-69)53-61-31-21-23-33-65(61)73(75)74-66-34-24-22-32-62(66)54-68(76(74)82-52-30-20-18-16-14-12-10-8-6-4-2)60-43-39-58(40-44-60)64-46-48-72(80-56-64)70-36-26-28-50-78-70/h21-28,31-50,53-56H,3-20,29-30,51-52H2,1-2H3
InChIKeyZIXYFQYDNMEQJM-UHFFFAOYSA-N
XLogP21.84
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds31
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001083.52
LogP ≤ 521.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[4-[3-dodecoxy-4-[2-dodecoxy-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-(2-Methoxy-6-pyridin-3-yl-1-naphthyl)pyridine
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3-[6-(Benzyloxy)-2-naphthyl]pyridine
CID 11702331
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CID 10994730
N-({2-[(4-fluorobenzyl)oxy]-1-naphthyl}methyl)-N-(2-pyridinylmethyl)amine
CID 3162220
1-(4-Methoxyphenyl)-3-naphthalen-1-ylbenzo[f][1,7]naphthyridine
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CID 127041890
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
CID 57345624
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-dodecoxy-4-[2-dodecoxy-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-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine (CID 102299035) is 5-[4-[3-dodecoxy-4-[2-dodecoxy-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-dodecoxy-4-[2-dodecoxy-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-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine is CCCCCCCCCCCCOc1c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc2c1-c1c(OCCCCCCCCCCCC)c(-c2ccc(-c3ccc(-c4ccccn4)nc3)cc2)cc2ccccc12.
What is the InChIKey of 5-[4-[3-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine?
The InChIKey is ZIXYFQYDNMEQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H82N4O2/c1-3-5-7-9-11-13-15-17-19-29-51-81-75-67(59-41-37-57(38-42-59)63-45-47-71(79-55-63)69-35-25-27-49-77-69)53-61-31-21-23-33-65(61)73(75)74-66-34-24-22-32-62(66)54-68(76(74)82-52-30-20-18-16-14-12-10-8-6-4-2)60-43-39-58(40-44-60)64-46-48-72(80-56-64)70-36-26-28-50-78-70/h21-28,31-50,53-56H,3-20,29-30,51-52H2,1-2H3.
What are the key properties of 5-[4-[3-dodecoxy-4-[2-dodecoxy-3-[4-(6-pyridin-2-yl-3-pyridinyl)phenyl]naphthalen-1-yl]naphthalen-2-yl]phenyl]-2-pyridin-2-ylpyridine?
5-[4-[3-dodecoxy-4-[2-dodecoxy-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 1083.52 g/mol, XLogP of 21.84, 31 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-dodecoxy-4-[2-dodecoxy-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 102299035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).