2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine

C36H21Br2N — CID 66807387

IUPAC2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine
SMILESBrc1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4cccc(-c5ccccn5)c4)cc31)c1cc(Br)ccc1-2
InChIInChI=1S/C36H21Br2N/c37-25-12-15-29-30-16-13-26(38)21-34(30)36(33(29)20-25)31-9-2-1-8-27(31)28-14-11-23(19-32(28)36)22-6-5-7-24(18-22)35-10-3-4-17-39-35/h1-21H
InChIKeyVMPKIRCTYFNFNZ-UHFFFAOYSA-N
MW627.38 g/mol
LogP10.28
Rot. Bonds2

About 2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine

2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine (PubChem CID 66807387) has the molecular formula C36H21Br2N and a molecular weight of 627.38 g/mol. Its IUPAC name is 2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine
PubChem CID66807387
Molecular FormulaC36H21Br2N
Molecular Weight627.38 g/mol
Exact Mass625.00
IUPAC Name2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine
SMILESBrc1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4cccc(-c5ccccn5)c4)cc31)c1cc(Br)ccc1-2
InChIInChI=1S/C36H21Br2N/c37-25-12-15-29-30-16-13-26(38)21-34(30)36(33(29)20-25)31-9-2-1-8-27(31)28-14-11-23(19-32(28)36)22-6-5-7-24(18-22)35-10-3-4-17-39-35/h1-21H
InChIKeyVMPKIRCTYFNFNZ-UHFFFAOYSA-N
XLogP10.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.38
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenyl-2-(3-pyridin-2-ylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrimidine
CID 167177109
2-[3-[3-(7'-bromospiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl)phenyl]phenyl]pyridine
CID 58793065
2,6-dipyridin-2-yl-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyridine
CID 166685118
2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]pyridine
CID 153423317
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
2-(4-phenylphenyl)-4-(4-pyridin-2-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)pyrimidine
CID 146631999
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]pyridine
CID 153423472
2,4-diphenyl-6-[4-[7'-(3-pyridin-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
CID 167178347
2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine
CID 134194075
2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
CID 130452820
2-phenyl-4-[3-[6-[4-[4-(3-pyridin-2-ylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl]phenyl]-3-pyridinyl]phenyl]-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 139307625

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine?
The IUPAC name of 2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine (CID 66807387) is 2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine.
What is the SMILES notation for 2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine?
The canonical SMILES for 2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine is Brc1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4cccc(-c5ccccn5)c4)cc31)c1cc(Br)ccc1-2.
What is the InChIKey of 2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine?
The InChIKey is VMPKIRCTYFNFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21Br2N/c37-25-12-15-29-30-16-13-26(38)21-34(30)36(33(29)20-25)31-9-2-1-8-27(31)28-14-11-23(19-32(28)36)22-6-5-7-24(18-22)35-10-3-4-17-39-35/h1-21H.
What are the key properties of 2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine?
2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine has a molecular weight of 627.38 g/mol, XLogP of 10.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine is sourced from PubChem (CID 66807387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).