2'-bromo-9,9'-spirobi[fluorene]-2-carbonitrile

C26H14BrN — CID 118260232

IUPAC2'-bromo-9,9'-spirobi[fluorene]-2-carbonitrile
SMILESN#Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(Br)cc31)c1ccccc1-2
InChIInChI=1S/C26H14BrN/c27-17-10-12-21-19-6-2-4-8-23(19)26(25(21)14-17)22-7-3-1-5-18(22)20-11-9-16(15-28)13-24(20)26/h1-14H
InChIKeyGOEGQHFQTNJUPI-UHFFFAOYSA-N
MW420.31 g/mol
LogP6.66
Rot. Bonds

About 2'-bromo-9,9'-spirobi[fluorene]-2-carbonitrile

2'-bromo-9,9'-spirobi[fluorene]-2-carbonitrile (PubChem CID 118260232) has the molecular formula C26H14BrN and a molecular weight of 420.31 g/mol. Its IUPAC name is 2'-bromo-9,9'-spirobi[fluorene]-2-carbonitrile.

Molecular Properties

Compound Name2'-bromo-9,9'-spirobi[fluorene]-2-carbonitrile
PubChem CID118260232
Molecular FormulaC26H14BrN
Molecular Weight420.31 g/mol
Exact Mass419.03
IUPAC Name2'-bromo-9,9'-spirobi[fluorene]-2-carbonitrile
SMILESN#Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(Br)cc31)c1ccccc1-2
InChIInChI=1S/C26H14BrN/c27-17-10-12-21-19-6-2-4-8-23(19)26(25(21)14-17)22-7-3-1-5-18(22)20-11-9-16(15-28)13-24(20)26/h1-14H
InChIKeyGOEGQHFQTNJUPI-UHFFFAOYSA-N
XLogP6.66
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.31
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 154935196
10',11',17'-tribromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 130268416
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2',7'-dicarbonitrile
CID 171832539
5,11-dibromospiro[16,23-diazapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaene-8,9'-fluorene]
CID 134238107
7'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 162776381
2,7-dimethyl-9,9'-spirobi[fluorene]-2',7'-dicarbonitrile
CID 118408607
7'-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 162775697
7'-(10-phenanthren-9-ylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 90194777
2,2'-dibromo-3'-phenyl-9,9'-spirobi[fluorene]
CID 168791383
9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonitrile
CID 59493029
7-chlorospiro[fluorene-9,9'-xanthene]-2-carbonitrile
CID 139034721

Frequently Asked Questions

What is the IUPAC name of 2'-bromo-9,9'-spirobi[fluorene]-2-carbonitrile?
The IUPAC name of 2'-bromo-9,9'-spirobi[fluorene]-2-carbonitrile (CID 118260232) is 2'-bromo-9,9'-spirobi[fluorene]-2-carbonitrile.
What is the SMILES notation for 2'-bromo-9,9'-spirobi[fluorene]-2-carbonitrile?
The canonical SMILES for 2'-bromo-9,9'-spirobi[fluorene]-2-carbonitrile is N#Cc1ccc2c(c1)C1(c3ccccc3-c3ccc(Br)cc31)c1ccccc1-2.
What is the InChIKey of 2'-bromo-9,9'-spirobi[fluorene]-2-carbonitrile?
The InChIKey is GOEGQHFQTNJUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14BrN/c27-17-10-12-21-19-6-2-4-8-23(19)26(25(21)14-17)22-7-3-1-5-18(22)20-11-9-16(15-28)13-24(20)26/h1-14H.
What are the key properties of 2'-bromo-9,9'-spirobi[fluorene]-2-carbonitrile?
2'-bromo-9,9'-spirobi[fluorene]-2-carbonitrile has a molecular weight of 420.31 g/mol, XLogP of 6.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-bromo-9,9'-spirobi[fluorene]-2-carbonitrile is sourced from PubChem (CID 118260232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).