2,4,6-tris[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]pyridine

C74H53NO3 — CID 58725579

IUPAC2,4,6-tris[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]pyridine
SMILESCOc1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6ccc(-c7ccc(OC)c8ccccc78)cc6)cc5)nc(-c5ccc(-c6ccc(-c7ccc(OC)c8ccccc78)cc6)cc5)c4)cc3)cc2)c2ccccc12
InChIInChI=1S/C74H53NO3/c1-76-72-43-40-61(64-10-4-7-13-67(64)72)55-30-20-49(21-31-55)48-16-18-54(19-17-48)60-46-70(58-36-26-52(27-37-58)50-22-32-56(33-23-50)62-41-44-73(77-2)68-14-8-5-11-65(62)68)75-71(47-60)59-38-28-53(29-39-59)51-24-34-57(35-25-51)63-42-45-74(78-3)69-15-9-6-12-66(63)69/h4-47H,1-3H3
InChIKeyYQBFCQXJDFAHNM-UHFFFAOYSA-N
MW1004.24 g/mol
LogP19.57
Rot. Bonds12

About 2,4,6-tris[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]pyridine

2,4,6-tris[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]pyridine (PubChem CID 58725579) has the molecular formula C74H53NO3 and a molecular weight of 1004.24 g/mol. Its IUPAC name is 2,4,6-tris[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2,4,6-tris[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]pyridine
PubChem CID58725579
Molecular FormulaC74H53NO3
Molecular Weight1004.24 g/mol
Exact Mass1003.40
IUPAC Name2,4,6-tris[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]pyridine
SMILESCOc1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6ccc(-c7ccc(OC)c8ccccc78)cc6)cc5)nc(-c5ccc(-c6ccc(-c7ccc(OC)c8ccccc78)cc6)cc5)c4)cc3)cc2)c2ccccc12
InChIInChI=1S/C74H53NO3/c1-76-72-43-40-61(64-10-4-7-13-67(64)72)55-30-20-49(21-31-55)48-16-18-54(19-17-48)60-46-70(58-36-26-52(27-37-58)50-22-32-56(33-23-50)62-41-44-73(77-2)68-14-8-5-11-65(62)68)75-71(47-60)59-38-28-53(29-39-59)51-24-34-57(35-25-51)63-42-45-74(78-3)69-15-9-6-12-66(63)69/h4-47H,1-3H3
InChIKeyYQBFCQXJDFAHNM-UHFFFAOYSA-N
XLogP19.57
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001004.24
LogP ≤ 519.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]pyridine?
The IUPAC name of 2,4,6-tris[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]pyridine (CID 58725579) is 2,4,6-tris[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]pyridine.
What is the SMILES notation for 2,4,6-tris[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]pyridine?
The canonical SMILES for 2,4,6-tris[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]pyridine is COc1ccc(-c2ccc(-c3ccc(-c4cc(-c5ccc(-c6ccc(-c7ccc(OC)c8ccccc78)cc6)cc5)nc(-c5ccc(-c6ccc(-c7ccc(OC)c8ccccc78)cc6)cc5)c4)cc3)cc2)c2ccccc12.
What is the InChIKey of 2,4,6-tris[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]pyridine?
The InChIKey is YQBFCQXJDFAHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H53NO3/c1-76-72-43-40-61(64-10-4-7-13-67(64)72)55-30-20-49(21-31-55)48-16-18-54(19-17-48)60-46-70(58-36-26-52(27-37-58)50-22-32-56(33-23-50)62-41-44-73(77-2)68-14-8-5-11-65(62)68)75-71(47-60)59-38-28-53(29-39-59)51-24-34-57(35-25-51)63-42-45-74(78-3)69-15-9-6-12-66(63)69/h4-47H,1-3H3.
What are the key properties of 2,4,6-tris[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]pyridine?
2,4,6-tris[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]pyridine has a molecular weight of 1004.24 g/mol, XLogP of 19.57, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[4-[4-(4-methoxynaphthalen-1-yl)phenyl]phenyl]pyridine is sourced from PubChem (CID 58725579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).