2,4-dipyridin-3-yl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyridine

C45H35N3 — CID 158578907

IUPAC2,4-dipyridin-3-yl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyridine
SMILESc1cncc(-c2cc(-c3cccnc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)C5(CCCCC5)c5ccccc5-6)c4)c3)c2)c1
InChIInChI=1S/C45H35N3/c1-4-20-45(21-5-1)41-17-3-2-16-39(41)40-19-18-34(26-42(40)45)32-11-6-10-31(24-32)33-12-7-13-35(25-33)43-27-38(36-14-8-22-46-29-36)28-44(48-43)37-15-9-23-47-30-37/h2-3,6-19,22-30H,1,4-5,20-21H2
InChIKeyUVMXLKRCIIJNNF-UHFFFAOYSA-N
MW617.80 g/mol
LogP11.44
Rot. Bonds5

About 2,4-dipyridin-3-yl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyridine

2,4-dipyridin-3-yl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyridine (PubChem CID 158578907) has the molecular formula C45H35N3 and a molecular weight of 617.80 g/mol. Its IUPAC name is 2,4-dipyridin-3-yl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyridine.

Molecular Properties

Compound Name2,4-dipyridin-3-yl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyridine
PubChem CID158578907
Molecular FormulaC45H35N3
Molecular Weight617.80 g/mol
Exact Mass617.28
IUPAC Name2,4-dipyridin-3-yl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyridine
SMILESc1cncc(-c2cc(-c3cccnc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)C5(CCCCC5)c5ccccc5-6)c4)c3)c2)c1
InChIInChI=1S/C45H35N3/c1-4-20-45(21-5-1)41-17-3-2-16-39(41)40-19-18-34(26-42(40)45)32-11-6-10-31(24-32)33-12-7-13-35(25-33)43-27-38(36-14-8-22-46-29-36)28-44(48-43)37-15-9-23-47-30-37/h2-3,6-19,22-30H,1,4-5,20-21H2
InChIKeyUVMXLKRCIIJNNF-UHFFFAOYSA-N
XLogP11.44
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.80
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dipyridin-3-yl-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)pyridine;2,4-dipyridin-3-yl-6-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)pyridine;4-pyridin-3-yl-2-pyridin-4-yl-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)pyridine
CID 159473526
4-pyridin-3-yl-2-pyridin-4-yl-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)pyridine
CID 159473527
2'-phenylspiro[cyclohexane-1,9'-fluorene]
CID 123183554
7'-[4-[4-[3-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-carbonitrile
CID 171440412
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158284037
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159514358
2-phenyl-4-(4-phenylphenyl)-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159556137
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061276
2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 160674553
2,4-diphenyl-6-[3-(2-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidin-4-yl)phenyl]-1,3,5-triazine
CID 174301372
2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]pyrimidine
CID 158061273
CID 166902546
CID 166902546

Frequently Asked Questions

What is the IUPAC name of 2,4-dipyridin-3-yl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyridine?
The IUPAC name of 2,4-dipyridin-3-yl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyridine (CID 158578907) is 2,4-dipyridin-3-yl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyridine.
What is the SMILES notation for 2,4-dipyridin-3-yl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyridine?
The canonical SMILES for 2,4-dipyridin-3-yl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyridine is c1cncc(-c2cc(-c3cccnc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)C5(CCCCC5)c5ccccc5-6)c4)c3)c2)c1.
What is the InChIKey of 2,4-dipyridin-3-yl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyridine?
The InChIKey is UVMXLKRCIIJNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N3/c1-4-20-45(21-5-1)41-17-3-2-16-39(41)40-19-18-34(26-42(40)45)32-11-6-10-31(24-32)33-12-7-13-35(25-33)43-27-38(36-14-8-22-46-29-36)28-44(48-43)37-15-9-23-47-30-37/h2-3,6-19,22-30H,1,4-5,20-21H2.
What are the key properties of 2,4-dipyridin-3-yl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyridine?
2,4-dipyridin-3-yl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyridine has a molecular weight of 617.80 g/mol, XLogP of 11.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dipyridin-3-yl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]pyridine is sourced from PubChem (CID 158578907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).