4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)pyrimidine

C51H32N2O — CID 137388304

IUPAC4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3c(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)ccc4ccccc34)n2)cc1
InChIInChI=1S/C51H32N2O/c1-3-16-34(17-4-1)45-32-46(35-18-5-2-6-19-35)53-50(52-45)49-37-20-8-7-15-33(37)27-29-38(49)36-28-30-48-44(31-36)51(43-25-13-14-26-47(43)54-48)41-23-11-9-21-39(41)40-22-10-12-24-42(40)51/h1-32H
InChIKeyVSVNGIUGFJPQLS-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.77
Rot. Bonds4

About 4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)pyrimidine

4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)pyrimidine (PubChem CID 137388304) has the molecular formula C51H32N2O and a molecular weight of 688.83 g/mol. Its IUPAC name is 4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)pyrimidine
PubChem CID137388304
Molecular FormulaC51H32N2O
Molecular Weight688.83 g/mol
Exact Mass688.25
IUPAC Name4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3c(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)ccc4ccccc34)n2)cc1
InChIInChI=1S/C51H32N2O/c1-3-16-34(17-4-1)45-32-46(35-18-5-2-6-19-35)53-50(52-45)49-37-20-8-7-15-33(37)27-29-38(49)36-28-30-48-44(31-36)51(43-25-13-14-26-47(43)54-48)41-23-11-9-21-39(41)40-22-10-12-24-42(40)51/h1-32H
InChIKeyVSVNGIUGFJPQLS-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

4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine
CID 130379318
2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine
CID 130379641
2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine
CID 130379927
2-phenyl-4-pyridin-2-yl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)-1,3,5-triazine
CID 166737937
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137388687
2'-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-4-ylspiro[fluorene-9,9'-xanthene]
CID 170037298
2-phenanthren-2-yl-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 130379619
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2-ylpyrimidine
CID 139306316
2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947292
4,6-diphenyl-2-[2-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]pyrimidine
CID 137388315

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)pyrimidine?
The IUPAC name of 4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)pyrimidine (CID 137388304) is 4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)pyrimidine?
The canonical SMILES for 4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)pyrimidine is c1ccc(-c2cc(-c3ccccc3)nc(-c3c(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)ccc4ccccc34)n2)cc1.
What is the InChIKey of 4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)pyrimidine?
The InChIKey is VSVNGIUGFJPQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O/c1-3-16-34(17-4-1)45-32-46(35-18-5-2-6-19-35)53-50(52-45)49-37-20-8-7-15-33(37)27-29-38(49)36-28-30-48-44(31-36)51(43-25-13-14-26-47(43)54-48)41-23-11-9-21-39(41)40-22-10-12-24-42(40)51/h1-32H.
What are the key properties of 4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)pyrimidine?
4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)pyrimidine 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 4,6-diphenyl-2-(2-spiro[fluorene-9,9'-xanthene]-2'-ylnaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 137388304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).