2-(7-bromo-9,9-dihexylfluoren-2-yl)pyridine

C30H36BrN — CID 86070328

IUPAC2-(7-bromo-9,9-dihexylfluoren-2-yl)pyridine
SMILESCCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(-c3ccccn3)cc21
InChIInChI=1S/C30H36BrN/c1-3-5-7-10-18-30(19-11-8-6-4-2)27-21-23(29-13-9-12-20-32-29)14-16-25(27)26-17-15-24(31)22-28(26)30/h9,12-17,20-22H,3-8,10-11,18-19H2,1-2H3
InChIKeyJZFFQZMLXPQYDE-UHFFFAOYSA-N
MW490.53 g/mol
LogP9.72
Rot. Bonds11

About 2-(7-bromo-9,9-dihexylfluoren-2-yl)pyridine

2-(7-bromo-9,9-dihexylfluoren-2-yl)pyridine (PubChem CID 86070328) has the molecular formula C30H36BrN and a molecular weight of 490.53 g/mol. Its IUPAC name is 2-(7-bromo-9,9-dihexylfluoren-2-yl)pyridine.

Molecular Properties

Compound Name2-(7-bromo-9,9-dihexylfluoren-2-yl)pyridine
PubChem CID86070328
Molecular FormulaC30H36BrN
Molecular Weight490.53 g/mol
Exact Mass489.20
IUPAC Name2-(7-bromo-9,9-dihexylfluoren-2-yl)pyridine
SMILESCCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(-c3ccccn3)cc21
InChIInChI=1S/C30H36BrN/c1-3-5-7-10-18-30(19-11-8-6-4-2)27-21-23(29-13-9-12-20-32-29)14-16-25(27)26-17-15-24(31)22-28(26)30/h9,12-17,20-22H,3-8,10-11,18-19H2,1-2H3
InChIKeyJZFFQZMLXPQYDE-UHFFFAOYSA-N
XLogP9.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.53
LogP ≤ 59.72
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

2-(4-Bromophenyl)-5-pentylpyridine
CID 3092175
3-{[(1E)-5-bromo-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539767
(3-Pyridylmethylene)indane 9b
CID 6539768
3-(6-Bromonaphthalen-2-yl)pyridine
CID 11558270
2-(4-Bromophenyl)-5-butylpyridine
CID 3126214
(4-Pyridylmethylene)indane 10a
CID 6539794
4-{[(1Z)-5-bromo-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539795
1-Methyl-4-[9-bromo-11H-pyrrolo[2,1-b] [3]benzazepin-11-ylidene]piperidine
CID 13141182
(NE)-N-[3-(4-bromophenyl)-3-(2-methylphenyl)-1-pyridin-4-ylpropylidene]hydroxylamine
CID 136166933
(NE)-N-[3-(4-bromophenyl)-3-(2-methylphenyl)-1-(2-methyl-4-pyridinyl)propylidene]hydroxylamine
CID 136167006
2-Fluoren-9-ylidenemethyl-pyridine
CID 256447
5-Bromo-2-(2-methylphenyl)pyridine
CID 13128385

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-9,9-dihexylfluoren-2-yl)pyridine?
The IUPAC name of 2-(7-bromo-9,9-dihexylfluoren-2-yl)pyridine (CID 86070328) is 2-(7-bromo-9,9-dihexylfluoren-2-yl)pyridine.
What is the SMILES notation for 2-(7-bromo-9,9-dihexylfluoren-2-yl)pyridine?
The canonical SMILES for 2-(7-bromo-9,9-dihexylfluoren-2-yl)pyridine is CCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(-c3ccccn3)cc21.
What is the InChIKey of 2-(7-bromo-9,9-dihexylfluoren-2-yl)pyridine?
The InChIKey is JZFFQZMLXPQYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36BrN/c1-3-5-7-10-18-30(19-11-8-6-4-2)27-21-23(29-13-9-12-20-32-29)14-16-25(27)26-17-15-24(31)22-28(26)30/h9,12-17,20-22H,3-8,10-11,18-19H2,1-2H3.
What are the key properties of 2-(7-bromo-9,9-dihexylfluoren-2-yl)pyridine?
2-(7-bromo-9,9-dihexylfluoren-2-yl)pyridine has a molecular weight of 490.53 g/mol, XLogP of 9.72, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-9,9-dihexylfluoren-2-yl)pyridine is sourced from PubChem (CID 86070328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).