2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine

C35H27N3O — CID 140716419

IUPAC2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
SMILESCc1cc(C)n(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5-c5ccccc54)c3)c2)n1
InChIInChI=1S/C35H27N3O/c1-24-21-25(2)38(37-24)27-12-10-14-29(23-27)39-28-13-9-11-26(22-28)35(34-19-7-8-20-36-34)32-17-5-3-15-30(32)31-16-4-6-18-33(31)35/h3-23H,1-2H3
InChIKeyIOVHRVJQTRBBJL-UHFFFAOYSA-N
MW505.62 g/mol
LogP8.04
Rot. Bonds5

About 2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine

2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine (PubChem CID 140716419) has the molecular formula C35H27N3O and a molecular weight of 505.62 g/mol. Its IUPAC name is 2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine.

Molecular Properties

Compound Name2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
PubChem CID140716419
Molecular FormulaC35H27N3O
Molecular Weight505.62 g/mol
Exact Mass505.22
IUPAC Name2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
SMILESCc1cc(C)n(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5-c5ccccc54)c3)c2)n1
InChIInChI=1S/C35H27N3O/c1-24-21-25(2)38(37-24)27-12-10-14-29(23-27)39-28-13-9-11-26(22-28)35(34-19-7-8-20-36-34)32-17-5-3-15-30(32)31-16-4-6-18-33(31)35/h3-23H,1-2H3
InChIKeyIOVHRVJQTRBBJL-UHFFFAOYSA-N
XLogP8.04
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.62
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
CID 140716395
3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-10-pyridin-2-ylspiro[acridine-9,9'-fluorene]
CID 160756460
4-methyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]pyridine
CID 158341283
2-[9-[3-[4-(3-methyl-2H-imidazol-1-yl)thiophen-2-yl]oxyphenyl]fluoren-9-yl]pyridine
CID 159415024
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-[3-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]-2,2,4,4-tetramethylpentan-3-yl]pyridine
CID 140717143
bis(4-hydroxypent-3-en-2-one);platinum;platinum(2+);2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;2-[9-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
CID 158459464
1-[3-[3-(3,6-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-3-methyl-2H-benzimidazole
CID 140715964
4-tert-butyl-2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]pyridine
CID 159029308
2-[3,6-ditert-butyl-9-[3-[3-(1-methylimidazol-2-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
CID 140715658
2-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]-9-pyrimidin-2-ylcarbazole
CID 86344157
4-tert-butyl-2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]furan-3-yl]pyridine
CID 157130498

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine?
The IUPAC name of 2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine (CID 140716419) is 2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine.
What is the SMILES notation for 2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine?
The canonical SMILES for 2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine is Cc1cc(C)n(-c2cccc(Oc3cccc(C4(c5ccccn5)c5ccccc5-c5ccccc54)c3)c2)n1.
What is the InChIKey of 2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine?
The InChIKey is IOVHRVJQTRBBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N3O/c1-24-21-25(2)38(37-24)27-12-10-14-29(23-27)39-28-13-9-11-26(22-28)35(34-19-7-8-20-36-34)32-17-5-3-15-30(32)31-16-4-6-18-33(31)35/h3-23H,1-2H3.
What are the key properties of 2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine?
2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine has a molecular weight of 505.62 g/mol, XLogP of 8.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-[3-(3,5-dimethylpyrazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine is sourced from PubChem (CID 140716419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).