9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]carbazole

C53H33N3O — CID 130380010

IUPAC9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C53H33N3O/c1-2-15-35(16-3-1)52-54-46(34-29-31-36(32-30-34)56-48-26-11-6-19-39(48)40-20-7-12-27-49(40)56)33-47(55-52)41-21-14-25-45-51(41)57-50-28-13-10-24-44(50)53(45)42-22-8-4-17-37(42)38-18-5-9-23-43(38)53/h1-33H
InChIKeyDHEZPTWQWCQKIR-UHFFFAOYSA-N
MW727.87 g/mol
LogP13.04
Rot. Bonds4

About 9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]carbazole

9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]carbazole (PubChem CID 130380010) has the molecular formula C53H33N3O and a molecular weight of 727.87 g/mol. Its IUPAC name is 9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]carbazole
PubChem CID130380010
Molecular FormulaC53H33N3O
Molecular Weight727.87 g/mol
Exact Mass727.26
IUPAC Name9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C53H33N3O/c1-2-15-35(16-3-1)52-54-46(34-29-31-36(32-30-34)56-48-26-11-6-19-39(48)40-20-7-12-27-49(40)56)33-47(55-52)41-21-14-25-45-51(41)57-50-28-13-10-24-44(50)53(45)42-22-8-4-17-37(42)38-18-5-9-23-43(38)53/h1-33H
InChIKeyDHEZPTWQWCQKIR-UHFFFAOYSA-N
XLogP13.04
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 513.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]carbazole?
The IUPAC name of 9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]carbazole (CID 130380010) is 9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]carbazole.
What is the SMILES notation for 9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]carbazole?
The canonical SMILES for 9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]carbazole?
The InChIKey is DHEZPTWQWCQKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O/c1-2-15-35(16-3-1)52-54-46(34-29-31-36(32-30-34)56-48-26-11-6-19-39(48)40-20-7-12-27-49(40)56)33-47(55-52)41-21-14-25-45-51(41)57-50-28-13-10-24-44(50)53(45)42-22-8-4-17-37(42)38-18-5-9-23-43(38)53/h1-33H.
What are the key properties of 9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]carbazole?
9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]carbazole has a molecular weight of 727.87 g/mol, XLogP of 13.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidin-4-yl)phenyl]carbazole is sourced from PubChem (CID 130380010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).