4-(4-naphthalen-1-ylphenyl)-2-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine

C55H34N2O — CID 155054872

IUPAC4-(4-naphthalen-1-ylphenyl)-2-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)cc(-c3ccc4c(c3)Oc3c(ccc5ccccc35)C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C55H34N2O/c1-2-15-39(16-3-1)54-56-50(38-27-25-37(26-28-38)42-22-12-17-35-13-4-6-18-41(35)42)34-51(57-54)40-30-31-48-52(33-40)58-53-43-19-7-5-14-36(43)29-32-49(53)55(48)46-23-10-8-20-44(46)45-21-9-11-24-47(45)55/h1-34H
InChIKeyDNEHPXDNCXSQOC-UHFFFAOYSA-N
MW738.89 g/mol
LogP13.92
Rot. Bonds4

About 4-(4-naphthalen-1-ylphenyl)-2-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine

4-(4-naphthalen-1-ylphenyl)-2-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine (PubChem CID 155054872) has the molecular formula C55H34N2O and a molecular weight of 738.89 g/mol. Its IUPAC name is 4-(4-naphthalen-1-ylphenyl)-2-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine.

Molecular Properties

Compound Name4-(4-naphthalen-1-ylphenyl)-2-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine
PubChem CID155054872
Molecular FormulaC55H34N2O
Molecular Weight738.89 g/mol
Exact Mass738.27
IUPAC Name4-(4-naphthalen-1-ylphenyl)-2-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)cc(-c3ccc4c(c3)Oc3c(ccc5ccccc35)C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C55H34N2O/c1-2-15-39(16-3-1)54-56-50(38-27-25-37(26-28-38)42-22-12-17-35-13-4-6-18-41(35)42)34-51(57-54)40-30-31-48-52(33-40)58-53-43-19-7-5-14-36(43)29-32-49(53)55(48)46-23-10-8-20-44(46)45-21-9-11-24-47(45)55/h1-34H
InChIKeyDNEHPXDNCXSQOC-UHFFFAOYSA-N
XLogP13.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 513.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-6-(3-phenylphenyl)-2-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine
CID 155054785
4-phenyl-2-(4-phenylphenyl)-6-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylpyrimidine
CID 139306382
4-phenanthren-2-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 130379891
4,6-diphenyl-2-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)pyrimidine
CID 139306402
4-naphthalen-2-yl-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 140947149
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
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 137388381
4-(4-naphthalen-1-ylphenyl)-6-phenyl-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 130261219
2,4-diphenyl-6-(2-spiro[fluorene-9,9'-xanthene]-3'-ylnaphthalen-1-yl)pyrimidine
CID 130379927
9-[4-(2-phenyl-6-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylpyrimidin-4-yl)phenyl]carbazole
CID 139306445
4,6-diphenyl-2-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]pyrimidine
CID 137389326
4-naphthalen-2-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389240

Frequently Asked Questions

What is the IUPAC name of 4-(4-naphthalen-1-ylphenyl)-2-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine?
The IUPAC name of 4-(4-naphthalen-1-ylphenyl)-2-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine (CID 155054872) is 4-(4-naphthalen-1-ylphenyl)-2-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine.
What is the SMILES notation for 4-(4-naphthalen-1-ylphenyl)-2-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine?
The canonical SMILES for 4-(4-naphthalen-1-ylphenyl)-2-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine is c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)cc(-c3ccc4c(c3)Oc3c(ccc5ccccc35)C43c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 4-(4-naphthalen-1-ylphenyl)-2-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine?
The InChIKey is DNEHPXDNCXSQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2O/c1-2-15-39(16-3-1)54-56-50(38-27-25-37(26-28-38)42-22-12-17-35-13-4-6-18-41(35)42)34-51(57-54)40-30-31-48-52(33-40)58-53-43-19-7-5-14-36(43)29-32-49(53)55(48)46-23-10-8-20-44(46)45-21-9-11-24-47(45)55/h1-34H.
What are the key properties of 4-(4-naphthalen-1-ylphenyl)-2-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine?
4-(4-naphthalen-1-ylphenyl)-2-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine has a molecular weight of 738.89 g/mol, XLogP of 13.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-naphthalen-1-ylphenyl)-2-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-10-ylpyrimidine is sourced from PubChem (CID 155054872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).