2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine

C34H20BrN — CID 134194075

IUPAC2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine
SMILESBrc1ccc2c(c1)C1(c3ccccc3-c3c(-c4ccccn4)cccc31)c1ccc3ccccc3c1-2
InChIInChI=1S/C34H20BrN/c35-22-16-17-25-30(20-22)34(29-18-15-21-8-1-2-9-23(21)32(25)29)27-12-4-3-10-24(27)33-26(11-7-13-28(33)34)31-14-5-6-19-36-31/h1-20H
InChIKeyUFKQXEPJRAXIGO-UHFFFAOYSA-N
MW522.45 g/mol
LogP9.01
Rot. Bonds1

About 2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine

2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine (PubChem CID 134194075) has the molecular formula C34H20BrN and a molecular weight of 522.45 g/mol. Its IUPAC name is 2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine.

Molecular Properties

Compound Name2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine
PubChem CID134194075
Molecular FormulaC34H20BrN
Molecular Weight522.45 g/mol
Exact Mass521.08
IUPAC Name2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine
SMILESBrc1ccc2c(c1)C1(c3ccccc3-c3c(-c4ccccn4)cccc31)c1ccc3ccccc3c1-2
InChIInChI=1S/C34H20BrN/c35-22-16-17-25-30(20-22)34(29-18-15-21-8-1-2-9-23(21)32(25)29)27-12-4-3-10-24(27)33-26(11-7-13-28(33)34)31-14-5-6-19-36-31/h1-20H
InChIKeyUFKQXEPJRAXIGO-UHFFFAOYSA-N
XLogP9.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.45
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 134272960
CID 134272960
3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene]
CID 164550694
2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine
CID 66807387
2-pyridin-2-yl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-17'-ylpyridine
CID 140962622
2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
CID 130452820
5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene]
CID 158615914
2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
2,4-bis(3-phenylphenyl)-6-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 134574249
2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 134216060
4'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 140792308
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
spiro[fluorene-9,7'-indeno[1,2-f]quinoline]
CID 134354321

Frequently Asked Questions

What is the IUPAC name of 2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine?
The IUPAC name of 2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine (CID 134194075) is 2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine.
What is the SMILES notation for 2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine?
The canonical SMILES for 2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine is Brc1ccc2c(c1)C1(c3ccccc3-c3c(-c4ccccn4)cccc31)c1ccc3ccccc3c1-2.
What is the InChIKey of 2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine?
The InChIKey is UFKQXEPJRAXIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20BrN/c35-22-16-17-25-30(20-22)34(29-18-15-21-8-1-2-9-23(21)32(25)29)27-12-4-3-10-24(27)33-26(11-7-13-28(33)34)31-14-5-6-19-36-31/h1-20H.
What are the key properties of 2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine?
2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine has a molecular weight of 522.45 g/mol, XLogP of 9.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine is sourced from PubChem (CID 134194075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).