5'-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-4'-carbonitrile

C46H27NO — CID 146215864

IUPAC5'-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-4'-carbonitrile
SMILESN#Cc1cccc2c1Oc1c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C46H27NO/c47-28-30-16-12-26-40-44(30)48-45-37(23-13-27-41(45)46(40)38-24-10-8-17-31(38)32-18-9-11-25-39(32)46)43-35-21-6-4-19-33(35)42(29-14-2-1-3-15-29)34-20-5-7-22-36(34)43/h1-27H
InChIKeyQZMGDXSMXUVGSI-UHFFFAOYSA-N
MW609.73 g/mol
LogP11.67
Rot. Bonds2

About 5'-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-4'-carbonitrile

5'-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-4'-carbonitrile (PubChem CID 146215864) has the molecular formula C46H27NO and a molecular weight of 609.73 g/mol. Its IUPAC name is 5'-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-4'-carbonitrile.

Molecular Properties

Compound Name5'-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-4'-carbonitrile
PubChem CID146215864
Molecular FormulaC46H27NO
Molecular Weight609.73 g/mol
Exact Mass609.21
IUPAC Name5'-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-4'-carbonitrile
SMILESN#Cc1cccc2c1Oc1c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C46H27NO/c47-28-30-16-12-26-40-44(30)48-45-37(23-13-27-41(45)46(40)38-24-10-8-17-31(38)32-18-9-11-25-39(32)46)43-35-21-6-4-19-33(35)42(29-14-2-1-3-15-29)34-20-5-7-22-36(34)43/h1-27H
InChIKeyQZMGDXSMXUVGSI-UHFFFAOYSA-N
XLogP11.67
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.73
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-[5'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-1-carbonitrile
CID 146362173
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873
4'-[10-(2-phenylphenyl)-8-spiro[fluorene-9,9'-xanthene]-4'-ylanthracen-1-yl]spiro[fluorene-9,9'-xanthene]
CID 155333446
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalen-1-yl]benzonitrile;4-[4-[4-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile;4-[4-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]benzonitrile
CID 157175099
2,4-diphenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;5'-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[5'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]naphthalene-1-carbonitrile;4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]benzonitrile;4-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3-yl]benzonitrile
CID 160699060
4-[4-[5'-(3,5-diphenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-yl]phenyl]benzonitrile
CID 146362644
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2'-carbonitrile;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-carbonitrile;4-[2'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]benzonitrile
CID 159819243
2-phenyl-5-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)benzonitrile
CID 155767755
2,2'-bis(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]
CID 59096369
4-[4'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[benzo[c]fluorene-7,9'-xanthene]-5-yl]benzonitrile
CID 157175356
4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[benzo[c]fluorene-7,9'-xanthene]-4'-yl]benzonitrile
CID 161128839

Frequently Asked Questions

What is the IUPAC name of 5'-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-4'-carbonitrile?
The IUPAC name of 5'-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-4'-carbonitrile (CID 146215864) is 5'-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-4'-carbonitrile.
What is the SMILES notation for 5'-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-4'-carbonitrile?
The canonical SMILES for 5'-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-4'-carbonitrile is N#Cc1cccc2c1Oc1c(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 5'-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-4'-carbonitrile?
The InChIKey is QZMGDXSMXUVGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NO/c47-28-30-16-12-26-40-44(30)48-45-37(23-13-27-41(45)46(40)38-24-10-8-17-31(38)32-18-9-11-25-39(32)46)43-35-21-6-4-19-33(35)42(29-14-2-1-3-15-29)34-20-5-7-22-36(34)43/h1-27H.
What are the key properties of 5'-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-4'-carbonitrile?
5'-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-4'-carbonitrile has a molecular weight of 609.73 g/mol, XLogP of 11.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(10-phenylanthracen-9-yl)spiro[fluorene-9,9'-xanthene]-4'-carbonitrile is sourced from PubChem (CID 146215864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).