4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine

C36H26N2O — CID 158341283

IUPAC4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine
SMILESCc1ccnc(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5-c5ccccc54)c3)c2)c1
InChIInChI=1S/C36H26N2O/c1-25-19-21-37-34(22-25)26-10-8-12-28(23-26)39-29-13-9-11-27(24-29)36(35-18-6-7-20-38-35)32-16-4-2-14-30(32)31-15-3-5-17-33(31)36/h2-24H,1H3
InChIKeyIUERFLMJPIDNER-UHFFFAOYSA-N
MW502.62 g/mol
LogP8.61
Rot. Bonds5

About 4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine

4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine (PubChem CID 158341283) has the molecular formula C36H26N2O and a molecular weight of 502.62 g/mol. Its IUPAC name is 4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine.

Molecular Properties

Compound Name4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine
PubChem CID158341283
Molecular FormulaC36H26N2O
Molecular Weight502.62 g/mol
Exact Mass502.20
IUPAC Name4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine
SMILESCc1ccnc(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5-c5ccccc54)c3)c2)c1
InChIInChI=1S/C36H26N2O/c1-25-19-21-37-34(22-25)26-10-8-12-28(23-26)39-29-13-9-11-27(24-29)36(35-18-6-7-20-38-35)32-16-4-2-14-30(32)31-15-3-5-17-33(31)36/h2-24H,1H3
InChIKeyIUERFLMJPIDNER-UHFFFAOYSA-N
XLogP8.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine
CID 159029308
N,N-dimethyl-2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)phenoxy]phenyl]pyridin-4-amine
CID 158983863
2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
CID 140716419
4-tert-butyl-2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]furan-3-yl]pyridine
CID 157130498
2-[3,6-ditert-butyl-9-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
CID 140715658
2-[9-phenyl-3-(10-phenyl-10-pyridin-2-ylspiro[anthracene-9,9'-fluorene]-2-yl)oxyspiro[anthracene-10,9'-fluorene]-9-yl]pyridine
CID 140743379
2-[6-[3-(9-pyridin-2-ylfluoren-9-yl)phenyl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
CID 136997077
2-[3-[3-(1-pyridin-2-ylcyclopentyl)phenoxy]phenyl]pyridine
CID 140716800
2-[9-[3-[4-(3-methyl-2H-imidazol-1-yl)thiophen-2-yl]oxyphenyl]fluoren-9-yl]pyridine
CID 159415024
9-[3-[3-isoquinolin-3-yl-5-(2,4,6-trimethylphenyl)phenoxy]phenyl]-10-phenyl-9-pyridin-2-ylacridine
CID 158345600
4-tert-butyl-2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
CID 140716395
2-[3-[3-(10-phenyl-9-pyridin-2-ylacridin-9-yl)phenoxy]phenyl]-1,3-benzothiazole
CID 160845402

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine?
The IUPAC name of 4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine (CID 158341283) is 4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine.
What is the SMILES notation for 4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine?
The canonical SMILES for 4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine is Cc1ccnc(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5-c5ccccc54)c3)c2)c1.
What is the InChIKey of 4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine?
The InChIKey is IUERFLMJPIDNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2O/c1-25-19-21-37-34(22-25)26-10-8-12-28(23-26)39-29-13-9-11-27(24-29)36(35-18-6-7-20-38-35)32-16-4-2-14-30(32)31-15-3-5-17-33(31)36/h2-24H,1H3.
What are the key properties of 4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine?
4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine has a molecular weight of 502.62 g/mol, XLogP of 8.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine is sourced from PubChem (CID 158341283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).