2-(3-spiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydro-1,10-phenanthroline

C43H30N2O — CID 130379946

IUPAC2-(3-spiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydro-1,10-phenanthroline
SMILESC1=CC2=C(CC1)c1ccccc1C21c2ccccc2Oc2c(-c3cccc(C4C=Cc5ccc6cccnc6c5N4)c3)cccc21
InChIInChI=1S/C43H30N2O/c1-3-16-34-32(13-1)33-14-2-4-17-35(33)43(34)36-18-5-6-20-39(36)46-42-31(15-8-19-37(42)43)29-10-7-11-30(26-29)38-24-23-28-22-21-27-12-9-25-44-40(27)41(28)45-38/h1,3-13,15-26,38,45H,2,14H2
InChIKeyIEGLAEAISPMSGC-UHFFFAOYSA-N
MW590.73 g/mol
LogP10.64
Rot. Bonds2

About 2-(3-spiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydro-1,10-phenanthroline

2-(3-spiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydro-1,10-phenanthroline (PubChem CID 130379946) has the molecular formula C43H30N2O and a molecular weight of 590.73 g/mol. Its IUPAC name is 2-(3-spiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydro-1,10-phenanthroline.

Molecular Properties

Compound Name2-(3-spiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydro-1,10-phenanthroline
PubChem CID130379946
Molecular FormulaC43H30N2O
Molecular Weight590.73 g/mol
Exact Mass590.24
IUPAC Name2-(3-spiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydro-1,10-phenanthroline
SMILESC1=CC2=C(CC1)c1ccccc1C21c2ccccc2Oc2c(-c3cccc(C4C=Cc5ccc6cccnc6c5N4)c3)cccc21
InChIInChI=1S/C43H30N2O/c1-3-16-34-32(13-1)33-14-2-4-17-35(33)43(34)36-18-5-6-20-39(36)46-42-31(15-8-19-37(42)43)29-10-7-11-30(26-29)38-24-23-28-22-21-27-12-9-25-44-40(27)41(28)45-38/h1,3-13,15-26,38,45H,2,14H2
InChIKeyIEGLAEAISPMSGC-UHFFFAOYSA-N
XLogP10.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 510.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-spiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydro-1,10-phenanthroline with MolForge

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Related Compounds

2-[3-(9,9-diphenylxanthen-4-yl)phenyl]-1,10-phenanthroline
CID 166914697
spiro[3,4-dihydrofluorene-9,5'-indeno[1,2-b]pyridine]
CID 67968403
2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137388685
4-(3-cyclohexa-1,3-dien-1-ylphenyl)-6-(3-phenylphenyl)-2-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137391754
13a,14-dihydronaphtho[2,1-b][1,10]phenanthroline
CID 118647995
2-[3-[4-(3-methylspiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 130379025
2-[3-(2,4-diphenylquinazolin-6-yl)phenyl]-9-naphthalen-1-yl-1,2-dihydro-1,10-phenanthroline
CID 176785173
9-[3-(9,9-dimethylthioxanthen-1-yl)phenyl]-2-phenyl-1,2-dihydro-1,10-phenanthroline
CID 166908535
benzenecarboximidoyl 6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-ylpyridine-3-carboximidate
CID 130379250
4-naphthalen-1-yl-6-phenyl-2-(4-spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155442616
6-phenyl-4-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,6-dihydropyrimidine
CID 155443258
7-dibenzofuran-3-ylspiro[3,4-dihydrofluorene-9,9'-3,4-dihydroxanthene]
CID 163961463

Frequently Asked Questions

What is the IUPAC name of 2-(3-spiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydro-1,10-phenanthroline?
The IUPAC name of 2-(3-spiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydro-1,10-phenanthroline (CID 130379946) is 2-(3-spiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydro-1,10-phenanthroline.
What is the SMILES notation for 2-(3-spiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydro-1,10-phenanthroline?
The canonical SMILES for 2-(3-spiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydro-1,10-phenanthroline is C1=CC2=C(CC1)c1ccccc1C21c2ccccc2Oc2c(-c3cccc(C4C=Cc5ccc6cccnc6c5N4)c3)cccc21.
What is the InChIKey of 2-(3-spiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydro-1,10-phenanthroline?
The InChIKey is IEGLAEAISPMSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2O/c1-3-16-34-32(13-1)33-14-2-4-17-35(33)43(34)36-18-5-6-20-39(36)46-42-31(15-8-19-37(42)43)29-10-7-11-30(26-29)38-24-23-28-22-21-27-12-9-25-44-40(27)41(28)45-38/h1,3-13,15-26,38,45H,2,14H2.
What are the key properties of 2-(3-spiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydro-1,10-phenanthroline?
2-(3-spiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydro-1,10-phenanthroline has a molecular weight of 590.73 g/mol, XLogP of 10.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-spiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydro-1,10-phenanthroline is sourced from PubChem (CID 130379946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).