4-(6H-phenalen-2-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine

C54H34N2O — CID 140947344

IUPAC4-(6H-phenalen-2-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
SMILESC1=Cc2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)cc3cccc(c23)C1
InChIInChI=1S/C54H34N2O/c1-2-14-34(15-3-1)48-33-49(39-30-37-18-12-16-35-17-13-19-38(31-39)52(35)37)56-53(55-48)43-23-5-4-20-40(43)36-28-29-47-51(32-36)57-50-27-11-10-26-46(50)54(47)44-24-8-6-21-41(44)42-22-7-9-25-45(42)54/h1-16,18-33H,17H2
InChIKeyMAOKXSZRONZOFT-UHFFFAOYSA-N
MW726.88 g/mol
LogP13.34
Rot. Bonds4

About 4-(6H-phenalen-2-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine

4-(6H-phenalen-2-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine (PubChem CID 140947344) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is 4-(6H-phenalen-2-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(6H-phenalen-2-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
PubChem CID140947344
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC Name4-(6H-phenalen-2-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
SMILESC1=Cc2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)cc3cccc(c23)C1
InChIInChI=1S/C54H34N2O/c1-2-14-34(15-3-1)48-33-49(39-30-37-18-12-16-35-17-13-19-38(31-39)52(35)37)56-53(55-48)43-23-5-4-20-40(43)36-28-29-47-51(32-36)57-50-27-11-10-26-46(50)54(47)44-24-8-6-21-41(44)42-22-7-9-25-45(42)54/h1-16,18-33H,17H2
InChIKeyMAOKXSZRONZOFT-UHFFFAOYSA-N
XLogP13.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(6H-phenalen-2-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-[6'-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-4-(6H-phenalen-2-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 166710589
4-(6H-phenalen-2-yl)-6-phenyl-2-(2-spiro[10H-anthracene-9,9'-fluorene]-2-ylphenyl)pyrimidine
CID 155443285
2-(6H-phenalen-2-yl)-4-[4-[6'-[4-[4-phenanthren-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 146342991
4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389218
4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389326
4-phenyl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3'-ylpyrimidine
CID 137388581
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
2-(6H-phenalen-2-yl)-4-phenyl-6-spiro[1,2-dihydroxanthene-9,9'-fluorene]-4-yl-1,3,5-triazine
CID 130379805
4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389330
4-(1,2-dihydropyridin-6-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389212
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-(6H-phenalen-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;4-phenanthren-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 161321502
4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168

Frequently Asked Questions

What is the IUPAC name of 4-(6H-phenalen-2-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The IUPAC name of 4-(6H-phenalen-2-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine (CID 140947344) is 4-(6H-phenalen-2-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(6H-phenalen-2-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The canonical SMILES for 4-(6H-phenalen-2-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine is C1=Cc2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)cc3cccc(c23)C1.
What is the InChIKey of 4-(6H-phenalen-2-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
The InChIKey is MAOKXSZRONZOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-2-14-34(15-3-1)48-33-49(39-30-37-18-12-16-35-17-13-19-38(31-39)52(35)37)56-53(55-48)43-23-5-4-20-40(43)36-28-29-47-51(32-36)57-50-27-11-10-26-46(50)54(47)44-24-8-6-21-41(44)42-22-7-9-25-45(42)54/h1-16,18-33H,17H2.
What are the key properties of 4-(6H-phenalen-2-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine?
4-(6H-phenalen-2-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine has a molecular weight of 726.88 g/mol, XLogP of 13.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6H-phenalen-2-yl)-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine is sourced from PubChem (CID 140947344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).