2,6-bis[2-[2-methoxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]phenyl]pyridine

C51H49NO2 — CID 168890082

IUPAC2,6-bis[2-[2-methoxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]phenyl]pyridine
SMILESCOc1c(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C)cc(C(C)(C)c4ccccc4)c3OC)n2)cc(C)cc1C(C)(C)c1ccccc1
InChIInChI=1S/C51H49NO2/c1-34-30-42(48(53-7)44(32-34)50(3,4)36-20-11-9-12-21-36)38-24-15-17-26-40(38)46-28-19-29-47(52-46)41-27-18-16-25-39(41)43-31-35(2)33-45(49(43)54-8)51(5,6)37-22-13-10-14-23-37/h9-33H,1-8H3
InChIKeyTVVRQVMDHSZLMW-UHFFFAOYSA-N
MW707.96 g/mol
LogP13.04
Rot. Bonds10

About 2,6-bis[2-[2-methoxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]phenyl]pyridine

2,6-bis[2-[2-methoxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]phenyl]pyridine (PubChem CID 168890082) has the molecular formula C51H49NO2 and a molecular weight of 707.96 g/mol. Its IUPAC name is 2,6-bis[2-[2-methoxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name2,6-bis[2-[2-methoxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]phenyl]pyridine
PubChem CID168890082
Molecular FormulaC51H49NO2
Molecular Weight707.96 g/mol
Exact Mass707.38
IUPAC Name2,6-bis[2-[2-methoxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]phenyl]pyridine
SMILESCOc1c(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C)cc(C(C)(C)c4ccccc4)c3OC)n2)cc(C)cc1C(C)(C)c1ccccc1
InChIInChI=1S/C51H49NO2/c1-34-30-42(48(53-7)44(32-34)50(3,4)36-20-11-9-12-21-36)38-24-15-17-26-40(38)46-28-19-29-47(52-46)41-27-18-16-25-39(41)43-31-35(2)33-45(49(43)54-8)51(5,6)37-22-13-10-14-23-37/h9-33H,1-8H3
InChIKeyTVVRQVMDHSZLMW-UHFFFAOYSA-N
XLogP13.04
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.96
LogP ≤ 513.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-[2-methoxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]phenyl]pyridine?
The IUPAC name of 2,6-bis[2-[2-methoxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]phenyl]pyridine (CID 168890082) is 2,6-bis[2-[2-methoxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]phenyl]pyridine.
What is the SMILES notation for 2,6-bis[2-[2-methoxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]phenyl]pyridine?
The canonical SMILES for 2,6-bis[2-[2-methoxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]phenyl]pyridine is COc1c(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C)cc(C(C)(C)c4ccccc4)c3OC)n2)cc(C)cc1C(C)(C)c1ccccc1.
What is the InChIKey of 2,6-bis[2-[2-methoxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]phenyl]pyridine?
The InChIKey is TVVRQVMDHSZLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H49NO2/c1-34-30-42(48(53-7)44(32-34)50(3,4)36-20-11-9-12-21-36)38-24-15-17-26-40(38)46-28-19-29-47(52-46)41-27-18-16-25-39(41)43-31-35(2)33-45(49(43)54-8)51(5,6)37-22-13-10-14-23-37/h9-33H,1-8H3.
What are the key properties of 2,6-bis[2-[2-methoxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]phenyl]pyridine?
2,6-bis[2-[2-methoxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]phenyl]pyridine has a molecular weight of 707.96 g/mol, XLogP of 13.04, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-[2-methoxy-5-methyl-3-(2-phenylpropan-2-yl)phenyl]phenyl]pyridine is sourced from PubChem (CID 168890082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).