3'-(2-isocyanophenyl)spiro[fluorene-9,9'-xanthene]

C32H19NO — CID 140947233

IUPAC3'-(2-isocyanophenyl)spiro[fluorene-9,9'-xanthene]
SMILES[C-]#[N+]c1ccccc1-c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C32H19NO/c1-33-29-16-8-4-10-22(29)21-18-19-28-31(20-21)34-30-17-9-7-15-27(30)32(28)25-13-5-2-11-23(25)24-12-3-6-14-26(24)32/h2-20H
InChIKeyVWCQXQKHIITZCI-UHFFFAOYSA-N
MW433.51 g/mol
LogP8.37
Rot. Bonds1

About 3'-(2-isocyanophenyl)spiro[fluorene-9,9'-xanthene]

3'-(2-isocyanophenyl)spiro[fluorene-9,9'-xanthene] (PubChem CID 140947233) has the molecular formula C32H19NO and a molecular weight of 433.51 g/mol. Its IUPAC name is 3'-(2-isocyanophenyl)spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name3'-(2-isocyanophenyl)spiro[fluorene-9,9'-xanthene]
PubChem CID140947233
Molecular FormulaC32H19NO
Molecular Weight433.51 g/mol
Exact Mass433.15
IUPAC Name3'-(2-isocyanophenyl)spiro[fluorene-9,9'-xanthene]
SMILES[C-]#[N+]c1ccccc1-c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C32H19NO/c1-33-29-16-8-4-10-22(29)21-18-19-28-31(20-21)34-30-17-9-7-15-27(30)32(28)25-13-5-2-11-23(25)24-12-3-6-14-26(24)32/h2-20H
InChIKeyVWCQXQKHIITZCI-UHFFFAOYSA-N
XLogP8.37
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
3'-[3-(8-phenylnaphthalen-1-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177299104
2'-[3-(3-isocyanophenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 140947310
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
3'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 137388643
4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389326
2-phenyl-5-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,4-oxadiazole
CID 140947158
3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177297747
3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177297795
4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 155305190
3'-(3-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 130379369
boric acid;spiro[fluorene-9,9'-xanthene]
CID 175979012

Frequently Asked Questions

What is the IUPAC name of 3'-(2-isocyanophenyl)spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 3'-(2-isocyanophenyl)spiro[fluorene-9,9'-xanthene] (CID 140947233) is 3'-(2-isocyanophenyl)spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 3'-(2-isocyanophenyl)spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 3'-(2-isocyanophenyl)spiro[fluorene-9,9'-xanthene] is [C-]#[N+]c1ccccc1-c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 3'-(2-isocyanophenyl)spiro[fluorene-9,9'-xanthene]?
The InChIKey is VWCQXQKHIITZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19NO/c1-33-29-16-8-4-10-22(29)21-18-19-28-31(20-21)34-30-17-9-7-15-27(30)32(28)25-13-5-2-11-23(25)24-12-3-6-14-26(24)32/h2-20H.
What are the key properties of 3'-(2-isocyanophenyl)spiro[fluorene-9,9'-xanthene]?
3'-(2-isocyanophenyl)spiro[fluorene-9,9'-xanthene] has a molecular weight of 433.51 g/mol, XLogP of 8.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(2-isocyanophenyl)spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 140947233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).