4-(9,9-dihexylfluoren-2-yl)-2-phenyl-6-pyridin-2-ylpyridine

C41H44N2 — CID 67471921

IUPAC4-(9,9-dihexylfluoren-2-yl)-2-phenyl-6-pyridin-2-ylpyridine
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccn4)c3)cc21
InChIInChI=1S/C41H44N2/c1-3-5-7-15-25-41(26-16-8-6-4-2)36-21-13-12-20-34(36)35-24-23-32(28-37(35)41)33-29-39(31-18-10-9-11-19-31)43-40(30-33)38-22-14-17-27-42-38/h9-14,17-24,27-30H,3-8,15-16,25-26H2,1-2H3
InChIKeyPVHHSUISCLZXDK-UHFFFAOYSA-N
MW564.82 g/mol
LogP11.68
Rot. Bonds13

About 4-(9,9-dihexylfluoren-2-yl)-2-phenyl-6-pyridin-2-ylpyridine

4-(9,9-dihexylfluoren-2-yl)-2-phenyl-6-pyridin-2-ylpyridine (PubChem CID 67471921) has the molecular formula C41H44N2 and a molecular weight of 564.82 g/mol. Its IUPAC name is 4-(9,9-dihexylfluoren-2-yl)-2-phenyl-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name4-(9,9-dihexylfluoren-2-yl)-2-phenyl-6-pyridin-2-ylpyridine
PubChem CID67471921
Molecular FormulaC41H44N2
Molecular Weight564.82 g/mol
Exact Mass564.35
IUPAC Name4-(9,9-dihexylfluoren-2-yl)-2-phenyl-6-pyridin-2-ylpyridine
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccn4)c3)cc21
InChIInChI=1S/C41H44N2/c1-3-5-7-15-25-41(26-16-8-6-4-2)36-21-13-12-20-34(36)35-24-23-32(28-37(35)41)33-29-39(31-18-10-9-11-19-31)43-40(30-33)38-22-14-17-27-42-38/h9-14,17-24,27-30H,3-8,15-16,25-26H2,1-2H3
InChIKeyPVHHSUISCLZXDK-UHFFFAOYSA-N
XLogP11.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.82
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-9,9-diheptylfluoren-2-yl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 89022451
4-[4-[(E)-2-(9,9-dihexylfluoren-2-yl)ethenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102147982
4-(3,5-ditert-butylphenyl)-2-(9,9-dihexylfluoren-2-yl)-6-phenylpyridine
CID 102582736
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
2-(7-nitro-9,9-dioctylfluoren-2-yl)-6-pyridin-2-ylpyridine
CID 102098891
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
2-[7-[7-(9,9-dioctylfluoren-2-yl)-9,9-dioctylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]-4,5-diphenyl-1H-imidazole
CID 101418184
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
9,9-dihexyl-2-[4-(4-methoxyphenyl)phenyl]fluorene
CID 102433644
2-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-7-(4-methoxyphenyl)fluorene
CID 102433648
2-(4,6-diphenylpyrimidin-2-yl)-4-(7-methyl-9,9-dioctylfluoren-2-yl)-6-[7-[4-(4-methylphenyl)phenyl]-9,9-dioctylfluoren-2-yl]pyrimidine
CID 118345393

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dihexylfluoren-2-yl)-2-phenyl-6-pyridin-2-ylpyridine?
The IUPAC name of 4-(9,9-dihexylfluoren-2-yl)-2-phenyl-6-pyridin-2-ylpyridine (CID 67471921) is 4-(9,9-dihexylfluoren-2-yl)-2-phenyl-6-pyridin-2-ylpyridine.
What is the SMILES notation for 4-(9,9-dihexylfluoren-2-yl)-2-phenyl-6-pyridin-2-ylpyridine?
The canonical SMILES for 4-(9,9-dihexylfluoren-2-yl)-2-phenyl-6-pyridin-2-ylpyridine is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccn4)c3)cc21.
What is the InChIKey of 4-(9,9-dihexylfluoren-2-yl)-2-phenyl-6-pyridin-2-ylpyridine?
The InChIKey is PVHHSUISCLZXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H44N2/c1-3-5-7-15-25-41(26-16-8-6-4-2)36-21-13-12-20-34(36)35-24-23-32(28-37(35)41)33-29-39(31-18-10-9-11-19-31)43-40(30-33)38-22-14-17-27-42-38/h9-14,17-24,27-30H,3-8,15-16,25-26H2,1-2H3.
What are the key properties of 4-(9,9-dihexylfluoren-2-yl)-2-phenyl-6-pyridin-2-ylpyridine?
4-(9,9-dihexylfluoren-2-yl)-2-phenyl-6-pyridin-2-ylpyridine has a molecular weight of 564.82 g/mol, XLogP of 11.68, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dihexylfluoren-2-yl)-2-phenyl-6-pyridin-2-ylpyridine is sourced from PubChem (CID 67471921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).