2-(4-tert-butylphenyl)-6-[[9-[6-(4-tert-butylphenyl)-2-pyridinyl]fluoren-9-yl]methyl]pyridine

C44H42N2 — CID 166003605

IUPAC2-(4-tert-butylphenyl)-6-[[9-[6-(4-tert-butylphenyl)-2-pyridinyl]fluoren-9-yl]methyl]pyridine
SMILESCC(C)(C)c1ccc(-c2cccc(CC3(c4cccc(-c5ccc(C(C)(C)C)cc5)n4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C44H42N2/c1-42(2,3)32-25-21-30(22-26-32)39-18-11-13-34(45-39)29-44(37-16-9-7-14-35(37)36-15-8-10-17-38(36)44)41-20-12-19-40(46-41)31-23-27-33(28-24-31)43(4,5)6/h7-28H,29H2,1-6H3
InChIKeyCSXFMOJPEZZWAP-UHFFFAOYSA-N
MW598.83 g/mol
LogP10.96
Rot. Bonds5

About 2-(4-tert-butylphenyl)-6-[[9-[6-(4-tert-butylphenyl)-2-pyridinyl]fluoren-9-yl]methyl]pyridine

2-(4-tert-butylphenyl)-6-[[9-[6-(4-tert-butylphenyl)-2-pyridinyl]fluoren-9-yl]methyl]pyridine (PubChem CID 166003605) has the molecular formula C44H42N2 and a molecular weight of 598.83 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-6-[[9-[6-(4-tert-butylphenyl)-2-pyridinyl]fluoren-9-yl]methyl]pyridine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-6-[[9-[6-(4-tert-butylphenyl)-2-pyridinyl]fluoren-9-yl]methyl]pyridine
PubChem CID166003605
Molecular FormulaC44H42N2
Molecular Weight598.83 g/mol
Exact Mass598.33
IUPAC Name2-(4-tert-butylphenyl)-6-[[9-[6-(4-tert-butylphenyl)-2-pyridinyl]fluoren-9-yl]methyl]pyridine
SMILESCC(C)(C)c1ccc(-c2cccc(CC3(c4cccc(-c5ccc(C(C)(C)C)cc5)n4)c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C44H42N2/c1-42(2,3)32-25-21-30(22-26-32)39-18-11-13-34(45-39)29-44(37-16-9-7-14-35(37)36-15-8-10-17-38(36)44)41-20-12-19-40(46-41)31-23-27-33(28-24-31)43(4,5)6/h7-28H,29H2,1-6H3
InChIKeyCSXFMOJPEZZWAP-UHFFFAOYSA-N
XLogP10.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.83
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(4-tert-butylphenyl)-2-pyridinyl]methanol
CID 22566603
2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine
CID 162425382
4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-2,6-diphenylpyrimidine
CID 168908932
1-(4-tert-butylphenyl)phenanthrene
CID 160779403
2-(9,9-dimethylfluoren-2-yl)-6-[7-[7-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyridine
CID 58881225
ditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane
CID 122232365
1-[6-(4-tert-butylphenyl)-2-pyridinyl]ethanone
CID 118588185
2-(4-tert-butylphenyl)-5-[2'-[2-(4-tert-butylphenyl)pyrimidin-5-yl]-9,9'-spirobi[fluorene]-2-yl]pyrimidine
CID 164717287
2-(4-tert-butylphenyl)-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 129314749
2-tert-butyl-5-[6-[9-[6-(6-tert-butyl-3-pyridinyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]pyridine;methane
CID 159322657
2-(2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153287761
1-tert-butyl-4-(2-iodophenyl)benzene
CID 22914033

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-6-[[9-[6-(4-tert-butylphenyl)-2-pyridinyl]fluoren-9-yl]methyl]pyridine?
The IUPAC name of 2-(4-tert-butylphenyl)-6-[[9-[6-(4-tert-butylphenyl)-2-pyridinyl]fluoren-9-yl]methyl]pyridine (CID 166003605) is 2-(4-tert-butylphenyl)-6-[[9-[6-(4-tert-butylphenyl)-2-pyridinyl]fluoren-9-yl]methyl]pyridine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-6-[[9-[6-(4-tert-butylphenyl)-2-pyridinyl]fluoren-9-yl]methyl]pyridine?
The canonical SMILES for 2-(4-tert-butylphenyl)-6-[[9-[6-(4-tert-butylphenyl)-2-pyridinyl]fluoren-9-yl]methyl]pyridine is CC(C)(C)c1ccc(-c2cccc(CC3(c4cccc(-c5ccc(C(C)(C)C)cc5)n4)c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-6-[[9-[6-(4-tert-butylphenyl)-2-pyridinyl]fluoren-9-yl]methyl]pyridine?
The InChIKey is CSXFMOJPEZZWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42N2/c1-42(2,3)32-25-21-30(22-26-32)39-18-11-13-34(45-39)29-44(37-16-9-7-14-35(37)36-15-8-10-17-38(36)44)41-20-12-19-40(46-41)31-23-27-33(28-24-31)43(4,5)6/h7-28H,29H2,1-6H3.
What are the key properties of 2-(4-tert-butylphenyl)-6-[[9-[6-(4-tert-butylphenyl)-2-pyridinyl]fluoren-9-yl]methyl]pyridine?
2-(4-tert-butylphenyl)-6-[[9-[6-(4-tert-butylphenyl)-2-pyridinyl]fluoren-9-yl]methyl]pyridine has a molecular weight of 598.83 g/mol, XLogP of 10.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-6-[[9-[6-(4-tert-butylphenyl)-2-pyridinyl]fluoren-9-yl]methyl]pyridine is sourced from PubChem (CID 166003605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).