7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile

C26H14ClN — CID 154935196

IUPAC7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile
SMILESN#Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(Cl)ccc1-2
InChIInChI=1S/C26H14ClN/c27-17-10-12-21-20-11-9-16(15-28)13-24(20)26(25(21)14-17)22-7-3-1-5-18(22)19-6-2-4-8-23(19)26/h1-14H
InChIKeyDGVGVFTXODOMNO-UHFFFAOYSA-N
MW375.86 g/mol
LogP6.56
Rot. Bonds

About 7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile

7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile (PubChem CID 154935196) has the molecular formula C26H14ClN and a molecular weight of 375.86 g/mol. Its IUPAC name is 7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile.

Molecular Properties

Compound Name7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile
PubChem CID154935196
Molecular FormulaC26H14ClN
Molecular Weight375.86 g/mol
Exact Mass375.08
IUPAC Name7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile
SMILESN#Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(Cl)ccc1-2
InChIInChI=1S/C26H14ClN/c27-17-10-12-21-20-11-9-16(15-28)13-24(20)26(25(21)14-17)22-7-3-1-5-18(22)19-6-2-4-8-23(19)26/h1-14H
InChIKeyDGVGVFTXODOMNO-UHFFFAOYSA-N
XLogP6.56
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-chlorospiro[fluorene-9,9'-xanthene]-2-carbonitrile
CID 139034721
CID 102192841
CID 102192841
2'-bromo-9,9'-spirobi[fluorene]-2-carbonitrile
CID 118260232
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
2-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260395
7'-chloro-5'-(N-(3-phenylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 155003667
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9'-spirobi[fluorene]-2',7'-dicarbonitrile
CID 171832539
3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130265363
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

Frequently Asked Questions

What is the IUPAC name of 7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile?
The IUPAC name of 7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile (CID 154935196) is 7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile.
What is the SMILES notation for 7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile?
The canonical SMILES for 7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile is N#Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(Cl)ccc1-2.
What is the InChIKey of 7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile?
The InChIKey is DGVGVFTXODOMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14ClN/c27-17-10-12-21-20-11-9-16(15-28)13-24(20)26(25(21)14-17)22-7-3-1-5-18(22)19-6-2-4-8-23(19)26/h1-14H.
What are the key properties of 7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile?
7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile has a molecular weight of 375.86 g/mol, XLogP of 6.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile is sourced from PubChem (CID 154935196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).