2-(4-tert-butylphenyl)-5-(9,9-dihexylfluoren-2-yl)pyridine

C40H49N — CID 122395424

IUPAC2-(4-tert-butylphenyl)-5-(9,9-dihexylfluoren-2-yl)pyridine
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc(-c4ccc(C(C)(C)C)cc4)nc3)cc21
InChIInChI=1S/C40H49N/c1-6-8-10-14-26-40(27-15-11-9-7-2)36-17-13-12-16-34(36)35-24-20-31(28-37(35)40)32-21-25-38(41-29-32)30-18-22-33(23-19-30)39(3,4)5/h12-13,16-25,28-29H,6-11,14-15,26-27H2,1-5H3
InChIKeyAHTNADXMIJANLM-UHFFFAOYSA-N
MW543.84 g/mol
LogP11.92
Rot. Bonds12

About 2-(4-tert-butylphenyl)-5-(9,9-dihexylfluoren-2-yl)pyridine

2-(4-tert-butylphenyl)-5-(9,9-dihexylfluoren-2-yl)pyridine (PubChem CID 122395424) has the molecular formula C40H49N and a molecular weight of 543.84 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-(9,9-dihexylfluoren-2-yl)pyridine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-(9,9-dihexylfluoren-2-yl)pyridine
PubChem CID122395424
Molecular FormulaC40H49N
Molecular Weight543.84 g/mol
Exact Mass543.39
IUPAC Name2-(4-tert-butylphenyl)-5-(9,9-dihexylfluoren-2-yl)pyridine
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc(-c4ccc(C(C)(C)C)cc4)nc3)cc21
InChIInChI=1S/C40H49N/c1-6-8-10-14-26-40(27-15-11-9-7-2)36-17-13-12-16-34(36)35-24-20-31(28-37(35)40)32-21-25-38(41-29-32)30-18-22-33(23-19-30)39(3,4)5/h12-13,16-25,28-29H,6-11,14-15,26-27H2,1-5H3
InChIKeyAHTNADXMIJANLM-UHFFFAOYSA-N
XLogP11.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.84
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(9,9-dioctylfluoren-2-yl)pyridine
CID 122679738
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
4-(3,5-ditert-butylphenyl)-2-(9,9-dihexylfluoren-2-yl)-6-phenylpyridine
CID 102582736
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
CID 101479425
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
5-methyl-2-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]pyridine
CID 58904109
2,5-bis(9,9-dioctylfluoren-2-yl)thiophene
CID 122383258
4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenol
CID 102433649
2-(2-methylbutan-2-yl)-9,9-dioctylfluorene
CID 143498644
4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
CID 102433647
2-(9,9-dioctylfluoren-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 140941455
2-tert-butyl-4-cyclohexyl-6-[6-(9,9-dioctylfluoren-2-yl)-3-pyridinyl]-1,3,5-triazine
CID 166571253

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-(9,9-dihexylfluoren-2-yl)pyridine?
The IUPAC name of 2-(4-tert-butylphenyl)-5-(9,9-dihexylfluoren-2-yl)pyridine (CID 122395424) is 2-(4-tert-butylphenyl)-5-(9,9-dihexylfluoren-2-yl)pyridine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-(9,9-dihexylfluoren-2-yl)pyridine?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-(9,9-dihexylfluoren-2-yl)pyridine is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc(-c4ccc(C(C)(C)C)cc4)nc3)cc21.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-(9,9-dihexylfluoren-2-yl)pyridine?
The InChIKey is AHTNADXMIJANLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H49N/c1-6-8-10-14-26-40(27-15-11-9-7-2)36-17-13-12-16-34(36)35-24-20-31(28-37(35)40)32-21-25-38(41-29-32)30-18-22-33(23-19-30)39(3,4)5/h12-13,16-25,28-29H,6-11,14-15,26-27H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-(9,9-dihexylfluoren-2-yl)pyridine?
2-(4-tert-butylphenyl)-5-(9,9-dihexylfluoren-2-yl)pyridine has a molecular weight of 543.84 g/mol, XLogP of 11.92, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-(9,9-dihexylfluoren-2-yl)pyridine is sourced from PubChem (CID 122395424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).