7-chlorospiro[fluorene-9,9'-xanthene]-2-carbonitrile

C26H14ClNO — CID 139034721

IUPAC7-chlorospiro[fluorene-9,9'-xanthene]-2-carbonitrile
SMILESN#Cc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(Cl)ccc1-2
InChIInChI=1S/C26H14ClNO/c27-17-10-12-19-18-11-9-16(15-28)13-22(18)26(23(19)14-17)20-5-1-3-7-24(20)29-25-8-4-2-6-21(25)26/h1-14H
InChIKeyOIYSQBOMHQEJHM-UHFFFAOYSA-N
MW391.86 g/mol
LogP6.68
Rot. Bonds

About 7-chlorospiro[fluorene-9,9'-xanthene]-2-carbonitrile

7-chlorospiro[fluorene-9,9'-xanthene]-2-carbonitrile (PubChem CID 139034721) has the molecular formula C26H14ClNO and a molecular weight of 391.86 g/mol. Its IUPAC name is 7-chlorospiro[fluorene-9,9'-xanthene]-2-carbonitrile.

Molecular Properties

Compound Name7-chlorospiro[fluorene-9,9'-xanthene]-2-carbonitrile
PubChem CID139034721
Molecular FormulaC26H14ClNO
Molecular Weight391.86 g/mol
Exact Mass391.08
IUPAC Name7-chlorospiro[fluorene-9,9'-xanthene]-2-carbonitrile
SMILESN#Cc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(Cl)ccc1-2
InChIInChI=1S/C26H14ClNO/c27-17-10-12-19-18-11-9-16(15-28)13-22(18)26(23(19)14-17)20-5-1-3-7-24(20)29-25-8-4-2-6-21(25)26/h1-14H
InChIKeyOIYSQBOMHQEJHM-UHFFFAOYSA-N
XLogP6.68
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.86
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 154935196
7-(4,5-diphenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-2-carbonitrile
CID 146215858
7-[4-(5-methyl-2,6-diphenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-carbonitrile
CID 147845671
[1-(7-cyanospiro[fluorene-9,9'-xanthene]-2-yl)naphthalen-2-yl]boronic acid
CID 155767891
2'-bromo-9,9'-spirobi[fluorene]-2-carbonitrile
CID 118260232
CID 102192841
CID 102192841
4-[2'-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile
CID 146913231
2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 164783629
2,7-dimethylspiro[fluorene-9,9'-xanthene]
CID 58250911
4-(5-spiro[fluorene-9,9'-xanthene]-2'-ylthiophen-2-yl)benzonitrile
CID 155476629
4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]benzonitrile
CID 139476228
7'-chloro-5'-(N-(3-phenylphenyl)anilino)-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 155003667

Frequently Asked Questions

What is the IUPAC name of 7-chlorospiro[fluorene-9,9'-xanthene]-2-carbonitrile?
The IUPAC name of 7-chlorospiro[fluorene-9,9'-xanthene]-2-carbonitrile (CID 139034721) is 7-chlorospiro[fluorene-9,9'-xanthene]-2-carbonitrile.
What is the SMILES notation for 7-chlorospiro[fluorene-9,9'-xanthene]-2-carbonitrile?
The canonical SMILES for 7-chlorospiro[fluorene-9,9'-xanthene]-2-carbonitrile is N#Cc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(Cl)ccc1-2.
What is the InChIKey of 7-chlorospiro[fluorene-9,9'-xanthene]-2-carbonitrile?
The InChIKey is OIYSQBOMHQEJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14ClNO/c27-17-10-12-19-18-11-9-16(15-28)13-22(18)26(23(19)14-17)20-5-1-3-7-24(20)29-25-8-4-2-6-21(25)26/h1-14H.
What are the key properties of 7-chlorospiro[fluorene-9,9'-xanthene]-2-carbonitrile?
7-chlorospiro[fluorene-9,9'-xanthene]-2-carbonitrile has a molecular weight of 391.86 g/mol, XLogP of 6.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorospiro[fluorene-9,9'-xanthene]-2-carbonitrile is sourced from PubChem (CID 139034721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).