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

C53H34N2O — CID 137389326

IUPAC4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C53H34N2O/c1-3-15-36(16-4-1)48-34-49(37-17-5-2-6-18-37)55-52(54-48)38-29-27-35(28-30-38)40-19-7-8-20-41(40)39-31-32-47-51(33-39)56-50-26-14-13-25-46(50)53(47)44-23-11-9-21-42(44)43-22-10-12-24-45(43)53/h1-34H
InChIKeyJTQLTMIRIZUMRC-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.28
Rot. Bonds5

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

4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine (PubChem CID 137389326) has the molecular formula C53H34N2O and a molecular weight of 714.87 g/mol. Its IUPAC name is 4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
PubChem CID137389326
Molecular FormulaC53H34N2O
Molecular Weight714.87 g/mol
Exact Mass714.27
IUPAC Name4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C53H34N2O/c1-3-15-36(16-4-1)48-34-49(37-17-5-2-6-18-37)55-52(54-48)38-29-27-35(28-30-38)40-19-7-8-20-41(40)39-31-32-47-51(33-39)56-50-26-14-13-25-46(50)53(47)44-23-11-9-21-42(44)43-22-10-12-24-45(43)53/h1-34H
InChIKeyJTQLTMIRIZUMRC-UHFFFAOYSA-N
XLogP13.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
4,6-bis(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(2-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(3-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine;4-phenyl-6-(4-phenylphenyl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 157164289
4-phenyl-6-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389330
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316
4-phenyl-6-(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389218
4-phenyl-6-(3-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 140947168
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
4,6-diphenyl-2-(4-spiro[fluorene-9,9'-xanthene]-1'-ylphenyl)pyrimidine
CID 166737824
2-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297762
2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine
CID 130379927

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine?
The IUPAC name of 4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine (CID 137389326) is 4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccccc4-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine?
The InChIKey is JTQLTMIRIZUMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O/c1-3-15-36(16-4-1)48-34-49(37-17-5-2-6-18-37)55-52(54-48)38-29-27-35(28-30-38)40-19-7-8-20-41(40)39-31-32-47-51(33-39)56-50-26-14-13-25-46(50)53(47)44-23-11-9-21-42(44)43-22-10-12-24-45(43)53/h1-34H.
What are the key properties of 4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine?
4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine has a molecular weight of 714.87 g/mol, XLogP of 13.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 137389326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).