2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidine

C51H32N2O — CID 137388687

IUPAC2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)cc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C51H32N2O/c1-3-15-33(16-4-1)36-28-29-41(38-20-8-7-19-37(36)38)47-32-46(52-50(53-47)34-17-5-2-6-18-34)35-27-30-49-45(31-35)51(44-25-13-14-26-48(44)54-49)42-23-11-9-21-39(42)40-22-10-12-24-43(40)51/h1-32H
InChIKeyHRGQLTXGZKJNDG-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.77
Rot. Bonds4

About 2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidine

2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidine (PubChem CID 137388687) has the molecular formula C51H32N2O and a molecular weight of 688.83 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidine
PubChem CID137388687
Molecular FormulaC51H32N2O
Molecular Weight688.83 g/mol
Exact Mass688.25
IUPAC Name2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)cc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1
InChIInChI=1S/C51H32N2O/c1-3-15-33(16-4-1)36-28-29-41(38-20-8-7-19-37(36)38)47-32-46(52-50(53-47)34-17-5-2-6-18-34)35-27-30-49-45(31-35)51(44-25-13-14-26-48(44)54-49)42-23-11-9-21-39(42)40-22-10-12-24-43(40)51/h1-32H
InChIKeyHRGQLTXGZKJNDG-UHFFFAOYSA-N
XLogP12.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947377
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316
2-phenyl-4-(3-phenylphenyl)-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 130380047
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
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
2-phenyl-4-(3-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379672
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378933
2,4-bis(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(3-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 159156197
4-phenyl-6-(3-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947343
2,4-diphenyl-6-[2-[2-[7'-[3-[4-phenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]phenyl]pyrimidine
CID 146343142
4-naphthalen-1-yl-6-[4-[7'-[4-[4-naphthalen-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-2-phenylpyrimidine
CID 167177909

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidine?
The IUPAC name of 2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidine (CID 137388687) is 2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidine.
What is the SMILES notation for 2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidine?
The canonical SMILES for 2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidine is c1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)cc(-c3ccc(-c4ccccc4)c4ccccc34)n2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidine?
The InChIKey is HRGQLTXGZKJNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O/c1-3-15-33(16-4-1)36-28-29-41(38-20-8-7-19-37(36)38)47-32-46(52-50(53-47)34-17-5-2-6-18-34)35-27-30-49-45(31-35)51(44-25-13-14-26-48(44)54-49)42-23-11-9-21-39(42)40-22-10-12-24-43(40)51/h1-32H.
What are the key properties of 2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidine?
2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidine has a molecular weight of 688.83 g/mol, XLogP of 12.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidine is sourced from PubChem (CID 137388687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).