4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine

C59H38N2O — CID 140947301

IUPAC4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)c4)n3)cc2)cc1
InChIInChI=1S/C59H38N2O/c1-3-15-39(16-4-1)41-29-33-43(34-30-41)54-38-55(44-35-31-42(32-36-44)40-17-5-2-6-18-40)61-58(60-54)46-20-13-19-45(37-46)47-23-14-27-53-57(47)62-56-28-12-11-26-52(56)59(53)50-24-9-7-21-48(50)49-22-8-10-25-51(49)59/h1-38H
InChIKeyKCXOKHWLGGHKPU-UHFFFAOYSA-N
MW790.97 g/mol
LogP14.95
Rot. Bonds6

About 4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine

4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine (PubChem CID 140947301) has the molecular formula C59H38N2O and a molecular weight of 790.97 g/mol. Its IUPAC name is 4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
PubChem CID140947301
Molecular FormulaC59H38N2O
Molecular Weight790.97 g/mol
Exact Mass790.30
IUPAC Name4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)c4)n3)cc2)cc1
InChIInChI=1S/C59H38N2O/c1-3-15-39(16-4-1)41-29-33-43(34-30-41)54-38-55(44-35-31-42(32-36-44)40-17-5-2-6-18-40)61-58(60-54)46-20-13-19-45(37-46)47-23-14-27-53-57(47)62-56-28-12-11-26-52(56)59(53)50-24-9-7-21-48(50)49-22-8-10-25-51(49)59/h1-38H
InChIKeyKCXOKHWLGGHKPU-UHFFFAOYSA-N
XLogP14.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-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

2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 137388381
4,6-diphenyl-2-[2-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 158213395
2,4-bis(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 130378990
2,4-bis(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 140947259
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947292
2-phenyl-4-(3-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 137388535
4,6-bis(4-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 137388368
4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947343
4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378933
4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379969
4-phenyl-6-(3-phenylphenyl)-2-[4-[7'-[3-[4-[6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]pyrimidine
CID 155443385

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine?
The IUPAC name of 4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine (CID 140947301) is 4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine.
What is the SMILES notation for 4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine?
The canonical SMILES for 4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5cccc6c5Oc5ccccc5C65c6ccccc6-c6ccccc65)c4)n3)cc2)cc1.
What is the InChIKey of 4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine?
The InChIKey is KCXOKHWLGGHKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2O/c1-3-15-39(16-4-1)41-29-33-43(34-30-41)54-38-55(44-35-31-42(32-36-44)40-17-5-2-6-18-40)61-58(60-54)46-20-13-19-45(37-46)47-23-14-27-53-57(47)62-56-28-12-11-26-52(56)59(53)50-24-9-7-21-48(50)49-22-8-10-25-51(49)59/h1-38H.
What are the key properties of 4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine?
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine has a molecular weight of 790.97 g/mol, XLogP of 14.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine is sourced from PubChem (CID 140947301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).