4-dibenzofuran-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydropyrimidine

C53H34N2O2 — CID 155443287

IUPAC4-dibenzofuran-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydropyrimidine
SMILESC1=C(c2ccccc2)NC(c2ccccc2-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3ccccc32)N=C1c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C53H34N2O2/c1-2-15-33(16-3-1)46-32-47(34-29-30-39-38-20-8-12-27-48(38)56-50(39)31-34)55-52(54-46)41-21-5-4-17-35(41)40-22-14-26-45-51(40)57-49-28-13-11-25-44(49)53(45)42-23-9-6-18-36(42)37-19-7-10-24-43(37)53/h1-32,52,54H
InChIKeyPXBYOPLSFUQWOD-UHFFFAOYSA-N
MW730.87 g/mol
LogP12.85
Rot. Bonds4

About 4-dibenzofuran-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydropyrimidine

4-dibenzofuran-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydropyrimidine (PubChem CID 155443287) has the molecular formula C53H34N2O2 and a molecular weight of 730.87 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydropyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydropyrimidine
PubChem CID155443287
Molecular FormulaC53H34N2O2
Molecular Weight730.87 g/mol
Exact Mass730.26
IUPAC Name4-dibenzofuran-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydropyrimidine
SMILESC1=C(c2ccccc2)NC(c2ccccc2-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3ccccc32)N=C1c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C53H34N2O2/c1-2-15-33(16-3-1)46-32-47(34-29-30-39-38-20-8-12-27-48(38)56-50(39)31-34)55-52(54-46)41-21-5-4-17-35(41)40-22-14-26-45-51(40)57-49-28-13-11-25-44(49)53(45)42-23-9-6-18-36(42)37-19-7-10-24-43(37)53/h1-32,52,54H
InChIKeyPXBYOPLSFUQWOD-UHFFFAOYSA-N
XLogP12.85
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.87
LogP ≤ 512.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine
CID 137388504
6-(1,2-dihydropyridin-6-yl)-4-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,2-dihydropyrimidine
CID 155443070
CID 166902294
CID 166902294
4-dibenzofuran-3-yl-2-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378916
2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 146321898
CID 146184521
CID 146184521
N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine
CID 167176662
2-phenyl-4-[6-[4-[4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine
CID 166710660
2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-naphthalen-1-yl-4-phenyl-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylnaphthalen-1-yl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 157349691
4,6-diphenyl-2-(4-spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene-21,9'-xanthene]-18-ylphenyl)-1,2-dihydropyrimidine
CID 134305269
N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine
CID 174232918
2-dibenzofuran-3-yl-4-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-1,3,5-triazine
CID 148861286

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydropyrimidine?
The IUPAC name of 4-dibenzofuran-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydropyrimidine (CID 155443287) is 4-dibenzofuran-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydropyrimidine.
What is the SMILES notation for 4-dibenzofuran-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydropyrimidine?
The canonical SMILES for 4-dibenzofuran-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydropyrimidine is C1=C(c2ccccc2)NC(c2ccccc2-c2cccc3c2Oc2ccccc2C32c3ccccc3-c3ccccc32)N=C1c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 4-dibenzofuran-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydropyrimidine?
The InChIKey is PXBYOPLSFUQWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O2/c1-2-15-33(16-3-1)46-32-47(34-29-30-39-38-20-8-12-27-48(38)56-50(39)31-34)55-52(54-46)41-21-5-4-17-35(41)40-22-14-26-45-51(40)57-49-28-13-11-25-44(49)53(45)42-23-9-6-18-36(42)37-19-7-10-24-43(37)53/h1-32,52,54H.
What are the key properties of 4-dibenzofuran-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydropyrimidine?
4-dibenzofuran-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydropyrimidine has a molecular weight of 730.87 g/mol, XLogP of 12.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydropyrimidine is sourced from PubChem (CID 155443287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).