4-(2'-bromo-7,7'-dipyridin-4-yl-9,9'-spirobi[fluorene]-2-yl)pyridine

C40H24BrN3 — CID 141440657

IUPAC4-(2'-bromo-7,7'-dipyridin-4-yl-9,9'-spirobi[fluorene]-2-yl)pyridine
SMILESBrc1ccc2c(c1)C1(c3cc(-c4ccncc4)ccc3-2)c2cc(-c3ccncc3)ccc2-c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C40H24BrN3/c41-31-4-8-35-34-7-3-30(27-13-19-44-20-14-27)23-38(34)40(39(35)24-31)36-21-28(25-9-15-42-16-10-25)1-5-32(36)33-6-2-29(22-37(33)40)26-11-17-43-18-12-26/h1-24H
InChIKeyFXYJTSFLTSFNJB-UHFFFAOYSA-N
MW626.56 g/mol
LogP9.98
Rot. Bonds3

About 4-(2'-bromo-7,7'-dipyridin-4-yl-9,9'-spirobi[fluorene]-2-yl)pyridine

4-(2'-bromo-7,7'-dipyridin-4-yl-9,9'-spirobi[fluorene]-2-yl)pyridine (PubChem CID 141440657) has the molecular formula C40H24BrN3 and a molecular weight of 626.56 g/mol. Its IUPAC name is 4-(2'-bromo-7,7'-dipyridin-4-yl-9,9'-spirobi[fluorene]-2-yl)pyridine.

Molecular Properties

Compound Name4-(2'-bromo-7,7'-dipyridin-4-yl-9,9'-spirobi[fluorene]-2-yl)pyridine
PubChem CID141440657
Molecular FormulaC40H24BrN3
Molecular Weight626.56 g/mol
Exact Mass625.12
IUPAC Name4-(2'-bromo-7,7'-dipyridin-4-yl-9,9'-spirobi[fluorene]-2-yl)pyridine
SMILESBrc1ccc2c(c1)C1(c3cc(-c4ccncc4)ccc3-2)c2cc(-c3ccncc3)ccc2-c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C40H24BrN3/c41-31-4-8-35-34-7-3-30(27-13-19-44-20-14-27)23-38(34)40(39(35)24-31)36-21-28(25-9-15-42-16-10-25)1-5-32(36)33-6-2-29(22-37(33)40)26-11-17-43-18-12-26/h1-24H
InChIKeyFXYJTSFLTSFNJB-UHFFFAOYSA-N
XLogP9.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.56
LogP ≤ 59.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2',7'-Dibromospiro(cyclopenta(2,1-b:3,4-b')dipyridine-5,9'-fluorene)
CID 19083250
3-Fluoren-9-ylidenemethyl-pyridine
CID 139138079
4-[2',7'-Dibromo-7-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2-yl]-2,3,5,6-tetrafluoropyridine
CID 139183206
2-(4-Bromo-4'-(tert-butyl)-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-methylpyridine
CID 155908957
2,2',7,7'-Tetra(pyridin-4-yl)-9,9'-spirobi[fluorene]
CID 58085428
4-[[2,7-Dibromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine
CID 90930230
2,7-Bis(4-pyridyl)-9,9-diethylfluorene
CID 122383953
3-(7-Fluoro-9,9-dimethyl-2-methylbromanuidylfluoren-4-yl)pyridine
CID 164047200
4-[3-(3-Bromophenyl)phenyl]-5,5-bis(4-fluorophenyl)indeno[1,2-c]pyridine
CID 165158355
2-(7-Bromo-9,9-dihexylfluoren-2-yl)pyridine
CID 86070328
4-(13,18-Ditert-butyl-28-pyridin-4-yl-3-heptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(17),2(14),3,5,7,9,12,15,18,21,23,25,27-tridecaenyl)pyridine
CID 101510754
4,4'-(9-(2-Methyl-2,3-dihydro-1h-cyclopenta[a]naphthalen-1-ylidene)-9h-fluorene-2,7-diyl)dipyridine
CID 137350432

Frequently Asked Questions

What is the IUPAC name of 4-(2'-bromo-7,7'-dipyridin-4-yl-9,9'-spirobi[fluorene]-2-yl)pyridine?
The IUPAC name of 4-(2'-bromo-7,7'-dipyridin-4-yl-9,9'-spirobi[fluorene]-2-yl)pyridine (CID 141440657) is 4-(2'-bromo-7,7'-dipyridin-4-yl-9,9'-spirobi[fluorene]-2-yl)pyridine.
What is the SMILES notation for 4-(2'-bromo-7,7'-dipyridin-4-yl-9,9'-spirobi[fluorene]-2-yl)pyridine?
The canonical SMILES for 4-(2'-bromo-7,7'-dipyridin-4-yl-9,9'-spirobi[fluorene]-2-yl)pyridine is Brc1ccc2c(c1)C1(c3cc(-c4ccncc4)ccc3-2)c2cc(-c3ccncc3)ccc2-c2ccc(-c3ccncc3)cc21.
What is the InChIKey of 4-(2'-bromo-7,7'-dipyridin-4-yl-9,9'-spirobi[fluorene]-2-yl)pyridine?
The InChIKey is FXYJTSFLTSFNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24BrN3/c41-31-4-8-35-34-7-3-30(27-13-19-44-20-14-27)23-38(34)40(39(35)24-31)36-21-28(25-9-15-42-16-10-25)1-5-32(36)33-6-2-29(22-37(33)40)26-11-17-43-18-12-26/h1-24H.
What are the key properties of 4-(2'-bromo-7,7'-dipyridin-4-yl-9,9'-spirobi[fluorene]-2-yl)pyridine?
4-(2'-bromo-7,7'-dipyridin-4-yl-9,9'-spirobi[fluorene]-2-yl)pyridine has a molecular weight of 626.56 g/mol, XLogP of 9.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2'-bromo-7,7'-dipyridin-4-yl-9,9'-spirobi[fluorene]-2-yl)pyridine is sourced from PubChem (CID 141440657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).