2-[3,4-bis(bromomethyl)phenyl]pyridine;2,7-dibromo-9H-fluorene;2-(2',7'-dibromospiro[1,3-dihydroindene-2,9'-fluorene]-5-yl)pyridine

C52H36Br6N2 — CID 158934750

IUPAC2-[3,4-bis(bromomethyl)phenyl]pyridine;2,7-dibromo-9H-fluorene;2-(2',7'-dibromospiro[1,3-dihydroindene-2,9'-fluorene]-5-yl)pyridine
SMILESBrCc1ccc(-c2ccccn2)cc1CBr.Brc1ccc2c(c1)C1(Cc3ccc(-c4ccccn4)cc3C1)c1cc(Br)ccc1-2.Brc1ccc2c(c1)Cc1cc(Br)ccc1-2
InChIInChI=1S/C26H17Br2N.C13H11Br2N.C13H8Br2/c27-19-6-8-21-22-9-7-20(28)13-24(22)26(23(21)12-19)14-17-5-4-16(11-18(17)15-26)25-3-1-2-10-29-25;14-8-11-5-4-10(7-12(11)9-15)13-3-1-2-6-16-13;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-13H,14-15H2;1-7H,8-9H2;1-4,6-7H,5H2
InChIKeyJJMWBSYUERVITK-UHFFFAOYSA-N
MW1168.30 g/mol
LogP16.66
Rot. Bonds4

About 2-[3,4-bis(bromomethyl)phenyl]pyridine;2,7-dibromo-9H-fluorene;2-(2',7'-dibromospiro[1,3-dihydroindene-2,9'-fluorene]-5-yl)pyridine

2-[3,4-bis(bromomethyl)phenyl]pyridine;2,7-dibromo-9H-fluorene;2-(2',7'-dibromospiro[1,3-dihydroindene-2,9'-fluorene]-5-yl)pyridine (PubChem CID 158934750) has the molecular formula C52H36Br6N2 and a molecular weight of 1168.30 g/mol. Its IUPAC name is 2-[3,4-bis(bromomethyl)phenyl]pyridine;2,7-dibromo-9H-fluorene;2-(2',7'-dibromospiro[1,3-dihydroindene-2,9'-fluorene]-5-yl)pyridine.

Molecular Properties

Compound Name2-[3,4-bis(bromomethyl)phenyl]pyridine;2,7-dibromo-9H-fluorene;2-(2',7'-dibromospiro[1,3-dihydroindene-2,9'-fluorene]-5-yl)pyridine
PubChem CID158934750
Molecular FormulaC52H36Br6N2
Molecular Weight1168.30 g/mol
Exact Mass1161.80
IUPAC Name2-[3,4-bis(bromomethyl)phenyl]pyridine;2,7-dibromo-9H-fluorene;2-(2',7'-dibromospiro[1,3-dihydroindene-2,9'-fluorene]-5-yl)pyridine
SMILESBrCc1ccc(-c2ccccn2)cc1CBr.Brc1ccc2c(c1)C1(Cc3ccc(-c4ccccn4)cc3C1)c1cc(Br)ccc1-2.Brc1ccc2c(c1)Cc1cc(Br)ccc1-2
InChIInChI=1S/C26H17Br2N.C13H11Br2N.C13H8Br2/c27-19-6-8-21-22-9-7-20(28)13-24(22)26(23(21)12-19)14-17-5-4-16(11-18(17)15-26)25-3-1-2-10-29-25;14-8-11-5-4-10(7-12(11)9-15)13-3-1-2-6-16-13;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-13H,14-15H2;1-7H,8-9H2;1-4,6-7H,5H2
InChIKeyJJMWBSYUERVITK-UHFFFAOYSA-N
XLogP16.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001168.30
LogP ≤ 516.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3-(7'-bromospiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]phenyl]pyridine
CID 58793065
9-[4-[4-[7'-[4-(4-carbazol-9-ylphenyl)phenyl]-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]phenyl]carbazole
CID 58793223
9-[4-[7'-(4-carbazol-9-ylphenyl)-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenyl]carbazole
CID 58793163
2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine
CID 66807387
2',7'-dibromospiro[5,7-dihydrocyclopenta[f][2]benzofuran-6,9'-fluorene]-1,3-dione
CID 102052848
5-phenylspiro[1,3-dihydroindene-2,9'-fluorene]
CID 58793089
iridium;2-phenylpyridine;2-phenylpyridine;2-N',2-N',7-N',7-N'-tetraphenyl-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2',7'-diamine;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine
CID 161283533
2-(7,9,9-trimethylfluoren-2-yl)pyridine
CID 140941467
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
CID 153423317
4-(4-bromophenyl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyridine
CID 130238337
iridium;2-N',2-N',7-N',7-N'-tetramethyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine
CID 58793195
2'-[5-(5-spiro[1,3-dihydroindene-2,9'-fluorene]-2'-ylnaphthalen-1-yl)naphthalen-1-yl]spiro[1,3-dihydroindene-2,9'-fluorene]
CID 58814378

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(bromomethyl)phenyl]pyridine;2,7-dibromo-9H-fluorene;2-(2',7'-dibromospiro[1,3-dihydroindene-2,9'-fluorene]-5-yl)pyridine?
The IUPAC name of 2-[3,4-bis(bromomethyl)phenyl]pyridine;2,7-dibromo-9H-fluorene;2-(2',7'-dibromospiro[1,3-dihydroindene-2,9'-fluorene]-5-yl)pyridine (CID 158934750) is 2-[3,4-bis(bromomethyl)phenyl]pyridine;2,7-dibromo-9H-fluorene;2-(2',7'-dibromospiro[1,3-dihydroindene-2,9'-fluorene]-5-yl)pyridine.
What is the SMILES notation for 2-[3,4-bis(bromomethyl)phenyl]pyridine;2,7-dibromo-9H-fluorene;2-(2',7'-dibromospiro[1,3-dihydroindene-2,9'-fluorene]-5-yl)pyridine?
The canonical SMILES for 2-[3,4-bis(bromomethyl)phenyl]pyridine;2,7-dibromo-9H-fluorene;2-(2',7'-dibromospiro[1,3-dihydroindene-2,9'-fluorene]-5-yl)pyridine is BrCc1ccc(-c2ccccn2)cc1CBr.Brc1ccc2c(c1)C1(Cc3ccc(-c4ccccn4)cc3C1)c1cc(Br)ccc1-2.Brc1ccc2c(c1)Cc1cc(Br)ccc1-2.
What is the InChIKey of 2-[3,4-bis(bromomethyl)phenyl]pyridine;2,7-dibromo-9H-fluorene;2-(2',7'-dibromospiro[1,3-dihydroindene-2,9'-fluorene]-5-yl)pyridine?
The InChIKey is JJMWBSYUERVITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17Br2N.C13H11Br2N.C13H8Br2/c27-19-6-8-21-22-9-7-20(28)13-24(22)26(23(21)12-19)14-17-5-4-16(11-18(17)15-26)25-3-1-2-10-29-25;14-8-11-5-4-10(7-12(11)9-15)13-3-1-2-6-16-13;14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-13H,14-15H2;1-7H,8-9H2;1-4,6-7H,5H2.
What are the key properties of 2-[3,4-bis(bromomethyl)phenyl]pyridine;2,7-dibromo-9H-fluorene;2-(2',7'-dibromospiro[1,3-dihydroindene-2,9'-fluorene]-5-yl)pyridine?
2-[3,4-bis(bromomethyl)phenyl]pyridine;2,7-dibromo-9H-fluorene;2-(2',7'-dibromospiro[1,3-dihydroindene-2,9'-fluorene]-5-yl)pyridine has a molecular weight of 1168.30 g/mol, XLogP of 16.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(bromomethyl)phenyl]pyridine;2,7-dibromo-9H-fluorene;2-(2',7'-dibromospiro[1,3-dihydroindene-2,9'-fluorene]-5-yl)pyridine is sourced from PubChem (CID 158934750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).