2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine

C53H38N2O — CID 129263795

IUPAC2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine
SMILESC1=C(c2cccc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c3)c2)NC(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C53H38N2O/c1-3-15-35(16-4-1)48-34-49(55-52(54-48)36-17-5-2-6-18-36)41-22-14-21-39(32-41)37-19-13-20-38(31-37)40-29-30-43-42-23-7-8-24-44(42)53(47(43)33-40)45-25-9-11-27-50(45)56-51-28-12-10-26-46(51)53/h1-34,48,52,54-55H
InChIKeyPBFRSZCFZGUYFA-UHFFFAOYSA-N
MW718.90 g/mol
LogP12.46
Rot. Bonds5

About 2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine

2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine (PubChem CID 129263795) has the molecular formula C53H38N2O and a molecular weight of 718.90 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine
PubChem CID129263795
Molecular FormulaC53H38N2O
Molecular Weight718.90 g/mol
Exact Mass718.30
IUPAC Name2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine
SMILESC1=C(c2cccc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c3)c2)NC(c2ccccc2)NC1c1ccccc1
InChIInChI=1S/C53H38N2O/c1-3-15-35(16-4-1)48-34-49(55-52(54-48)36-17-5-2-6-18-36)41-22-14-21-39(32-41)37-19-13-20-38(31-37)40-29-30-43-42-23-7-8-24-44(42)53(47(43)33-40)45-25-9-11-27-50(45)56-51-28-12-10-26-46(51)53/h1-34,48,52,54-55H
InChIKeyPBFRSZCFZGUYFA-UHFFFAOYSA-N
XLogP12.46
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.90
LogP ≤ 512.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-diphenyl-2-[3-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine
CID 129263547
4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,2,3,4-tetrahydropyrimidine
CID 146321789
2'-[3-[4-(2,4-diphenyl-1,2,3,4-tetrahydropyrimidin-6-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263707
4-(9,9-dimethylfluoren-2-yl)-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,4-dihydropyrimidine
CID 130378906
2-phenyl-4-(3-phenylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
CID 134571369
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine
CID 153297845
4-phenyl-6-(2-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,4-dihydropyrimidine
CID 148834800
4,6-bis(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
CID 137388370
10-[4-[2-[4-(3'-phenylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,2,3,4-tetrahydroquinazolin-4-yl]phenyl]phenoxazine
CID 146321805
6-phenyl-4-(2-phenylphenyl)-2-[3-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,6-dihydropyrimidine
CID 155443258

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine?
The IUPAC name of 2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine (CID 129263795) is 2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine?
The canonical SMILES for 2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine is C1=C(c2cccc(-c3cccc(-c4ccc5c(c4)C4(c6ccccc6Oc6ccccc64)c4ccccc4-5)c3)c2)NC(c2ccccc2)NC1c1ccccc1.
What is the InChIKey of 2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine?
The InChIKey is PBFRSZCFZGUYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N2O/c1-3-15-35(16-4-1)48-34-49(55-52(54-48)36-17-5-2-6-18-36)41-22-14-21-39(32-41)37-19-13-20-38(31-37)40-29-30-43-42-23-7-8-24-44(42)53(47(43)33-40)45-25-9-11-27-50(45)56-51-28-12-10-26-46(51)53/h1-34,48,52,54-55H.
What are the key properties of 2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine?
2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine has a molecular weight of 718.90 g/mol, XLogP of 12.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine is sourced from PubChem (CID 129263795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).