3-(3-phenylpropyl)-2-[3-(3-phenylpropyl)-2-pyridinyl]pyridine

C28H28N2 — CID 102306107

IUPAC3-(3-phenylpropyl)-2-[3-(3-phenylpropyl)-2-pyridinyl]pyridine
SMILESc1ccc(CCCc2cccnc2-c2ncccc2CCCc2ccccc2)cc1
InChIInChI=1S/C28H28N2/c1-3-11-23(12-4-1)15-7-17-25-19-9-21-29-27(25)28-26(20-10-22-30-28)18-8-16-24-13-5-2-6-14-24/h1-6,9-14,19-22H,7-8,15-18H2
InChIKeyQVCZWJHZNODMKT-UHFFFAOYSA-N
MW392.55 g/mol
LogP6.49
Rot. Bonds9

About 3-(3-phenylpropyl)-2-[3-(3-phenylpropyl)-2-pyridinyl]pyridine

3-(3-phenylpropyl)-2-[3-(3-phenylpropyl)-2-pyridinyl]pyridine (PubChem CID 102306107) has the molecular formula C28H28N2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 3-(3-phenylpropyl)-2-[3-(3-phenylpropyl)-2-pyridinyl]pyridine.

Molecular Properties

Compound Name3-(3-phenylpropyl)-2-[3-(3-phenylpropyl)-2-pyridinyl]pyridine
PubChem CID102306107
Molecular FormulaC28H28N2
Molecular Weight392.55 g/mol
Exact Mass392.23
IUPAC Name3-(3-phenylpropyl)-2-[3-(3-phenylpropyl)-2-pyridinyl]pyridine
SMILESc1ccc(CCCc2cccnc2-c2ncccc2CCCc2ccccc2)cc1
InChIInChI=1S/C28H28N2/c1-3-11-23(12-4-1)15-7-17-25-19-9-21-29-27(25)28-26(20-10-22-30-28)18-8-16-24-13-5-2-6-14-24/h1-6,9-14,19-22H,7-8,15-18H2
InChIKeyQVCZWJHZNODMKT-UHFFFAOYSA-N
XLogP6.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-phenylpropyl)phenolate
CID 123450771
3-(2-chloroethyl)-2-[3-(2-chloroethyl)-2-pyridinyl]pyridine
CID 177289121
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
4-phenylbutylbenzene
CID 141301927
2-[2-(3-phenylpropyl)phenyl]acetic acid
CID 23284627
[3-(2-phenylethyl)-2-pyridinyl]methanol
CID 22914797
2-(7-phenylheptyl)pyridine
CID 54510986
2-pyridin-2-yl-3-tetradecylpyridine
CID 69057571
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
[2-[3-(sulfanylmethyl)-2-pyridinyl]-3-pyridinyl]methanethiol
CID 118077379

Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpropyl)-2-[3-(3-phenylpropyl)-2-pyridinyl]pyridine?
The IUPAC name of 3-(3-phenylpropyl)-2-[3-(3-phenylpropyl)-2-pyridinyl]pyridine (CID 102306107) is 3-(3-phenylpropyl)-2-[3-(3-phenylpropyl)-2-pyridinyl]pyridine.
What is the SMILES notation for 3-(3-phenylpropyl)-2-[3-(3-phenylpropyl)-2-pyridinyl]pyridine?
The canonical SMILES for 3-(3-phenylpropyl)-2-[3-(3-phenylpropyl)-2-pyridinyl]pyridine is c1ccc(CCCc2cccnc2-c2ncccc2CCCc2ccccc2)cc1.
What is the InChIKey of 3-(3-phenylpropyl)-2-[3-(3-phenylpropyl)-2-pyridinyl]pyridine?
The InChIKey is QVCZWJHZNODMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2/c1-3-11-23(12-4-1)15-7-17-25-19-9-21-29-27(25)28-26(20-10-22-30-28)18-8-16-24-13-5-2-6-14-24/h1-6,9-14,19-22H,7-8,15-18H2.
What are the key properties of 3-(3-phenylpropyl)-2-[3-(3-phenylpropyl)-2-pyridinyl]pyridine?
3-(3-phenylpropyl)-2-[3-(3-phenylpropyl)-2-pyridinyl]pyridine has a molecular weight of 392.55 g/mol, XLogP of 6.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpropyl)-2-[3-(3-phenylpropyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 102306107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).