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

C41H38N4 — CID 162425382

IUPAC2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine
SMILESCC(C)(C)c1ccnc(-c2cccc(C3(c4cccc(-c5cc(C(C)(C)C)ccn5)n4)c4ccccc4-c4ccccc43)n2)c1
InChIInChI=1S/C41H38N4/c1-39(2,3)27-21-23-42-35(25-27)33-17-11-19-37(44-33)41(31-15-9-7-13-29(31)30-14-8-10-16-32(30)41)38-20-12-18-34(45-38)36-26-28(22-24-43-36)40(4,5)6/h7-26H,1-6H3
InChIKeyYFNVDQCGLYWEJT-UHFFFAOYSA-N
MW586.78 g/mol
LogP9.56
Rot. Bonds4

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

2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine (PubChem CID 162425382) has the molecular formula C41H38N4 and a molecular weight of 586.78 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine.

Molecular Properties

Compound Name2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine
PubChem CID162425382
Molecular FormulaC41H38N4
Molecular Weight586.78 g/mol
Exact Mass586.31
IUPAC Name2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine
SMILESCC(C)(C)c1ccnc(-c2cccc(C3(c4cccc(-c5cc(C(C)(C)C)ccn5)n4)c4ccccc4-c4ccccc43)n2)c1
InChIInChI=1S/C41H38N4/c1-39(2,3)27-21-23-42-35(25-27)33-17-11-19-37(44-33)41(31-15-9-7-13-29(31)30-14-8-10-16-32(30)41)38-20-12-18-34(45-38)36-26-28(22-24-43-36)40(4,5)6/h7-26H,1-6H3
InChIKeyYFNVDQCGLYWEJT-UHFFFAOYSA-N
XLogP9.56
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.78
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine with MolForge

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Related Compounds

2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 15827510
2-(3-tert-butylbenzene-6-id-1-yl)-6-[9-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-(3,4-dimethylbenzene-6-id-1-yl)-6-[9-[6-(3,4-dimethylbenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;platinum;bis(platinum(2+));2-pyridin-2-yl-6-[9-(6-pyridin-2-yl-2-pyridinyl)fluoren-9-yl]pyridine
CID 158029976
2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine
CID 156780767
4-tert-butyl-2-[3-[9-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)fluoren-9-yl]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+)
CID 153428898
4-tert-butyl-2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)-5-phenylbenzene-2-id-1-yl]fluoren-9-yl]-5-phenylbenzene-2-id-1-yl]pyridine;platinum(2+)
CID 153429172
1-[3-tert-butyl-5-[9-[3-(4-tert-butyl-2-pyridinyl)phenyl]fluoren-9-yl]phenyl]isoquinoline
CID 153428819
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;carbanide;platinum(2+)
CID 10962043
6-[9-[8-(4-tert-butyl-2-pyridinyl)-7H-isoquinolin-7-id-6-yl]fluoren-9-yl]-8-pyridin-2-yl-7H-isoquinolin-7-ide;platinum(2+)
CID 153428872
2-[2,7-ditert-butyl-9-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]fluoren-9-yl]-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
CID 122218757
4-tert-butyl-2-[5-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]furan-3-yl]pyridine
CID 157130498
2-[3-[9-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]-1-methylbenzimidazole;platinum(2+)
CID 153429132
3,6-ditert-butyl-9,9'-spirobi[fluorene]
CID 156624536

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine?
The IUPAC name of 2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine (CID 162425382) is 2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine.
What is the SMILES notation for 2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine?
The canonical SMILES for 2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine is CC(C)(C)c1ccnc(-c2cccc(C3(c4cccc(-c5cc(C(C)(C)C)ccn5)n4)c4ccccc4-c4ccccc43)n2)c1.
What is the InChIKey of 2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine?
The InChIKey is YFNVDQCGLYWEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N4/c1-39(2,3)27-21-23-42-35(25-27)33-17-11-19-37(44-33)41(31-15-9-7-13-29(31)30-14-8-10-16-32(30)41)38-20-12-18-34(45-38)36-26-28(22-24-43-36)40(4,5)6/h7-26H,1-6H3.
What are the key properties of 2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine?
2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine has a molecular weight of 586.78 g/mol, XLogP of 9.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine is sourced from PubChem (CID 162425382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).