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

C53H36N2O — CID 137388504

IUPAC4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine
SMILESC1=C(c2ccccc2)NC(c2cccc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)c2)N=C1c1ccccc1
InChIInChI=1S/C53H36N2O/c1-3-15-37(16-4-1)48-34-49(38-17-5-2-6-18-38)55-52(54-48)40-20-13-19-39(33-40)35-29-31-36(32-30-35)41-23-14-27-47-51(41)56-50-28-12-11-26-46(50)53(47)44-24-9-7-21-42(44)43-22-8-10-25-45(43)53/h1-34,52,54H
InChIKeyWKBBJAZKMLPFFO-UHFFFAOYSA-N
MW716.88 g/mol
LogP12.62
Rot. Bonds5

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

4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine (PubChem CID 137388504) has the molecular formula C53H36N2O and a molecular weight of 716.88 g/mol. Its IUPAC name is 4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine
PubChem CID137388504
Molecular FormulaC53H36N2O
Molecular Weight716.88 g/mol
Exact Mass716.28
IUPAC Name4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine
SMILESC1=C(c2ccccc2)NC(c2cccc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)c2)N=C1c1ccccc1
InChIInChI=1S/C53H36N2O/c1-3-15-37(16-4-1)48-34-49(38-17-5-2-6-18-38)55-52(54-48)40-20-13-19-39(33-40)35-29-31-36(32-30-35)41-23-14-27-47-51(41)56-50-28-12-11-26-46(50)53(47)44-24-9-7-21-42(44)43-22-8-10-25-45(43)53/h1-34,52,54H
InChIKeyWKBBJAZKMLPFFO-UHFFFAOYSA-N
XLogP12.62
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.88
LogP ≤ 512.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 146184521
CID 146184521
4-dibenzofuran-3-yl-6-phenyl-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,2-dihydropyrimidine
CID 155443287
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
4,6-bis(3-phenylphenyl)-2-(2-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydropyrimidine
CID 137388370
4-[3-[4-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-2-phenyl-1,2-dihydroquinazoline
CID 166914687
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 137388725
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 130379042
2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263708
2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,2-dihydropyrimidine
CID 138575916
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 137388381
2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene]
CID 161440749
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 4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine?
The IUPAC name of 4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine (CID 137388504) is 4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine is C1=C(c2ccccc2)NC(c2cccc(-c3ccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)c2)N=C1c1ccccc1.
What is the InChIKey of 4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine?
The InChIKey is WKBBJAZKMLPFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36N2O/c1-3-15-37(16-4-1)48-34-49(38-17-5-2-6-18-38)55-52(54-48)40-20-13-19-39(33-40)35-29-31-36(32-30-35)41-23-14-27-47-51(41)56-50-28-12-11-26-46(50)53(47)44-24-9-7-21-42(44)43-22-8-10-25-45(43)53/h1-34,52,54H.
What are the key properties of 4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine?
4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine has a molecular weight of 716.88 g/mol, XLogP of 12.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine is sourced from PubChem (CID 137388504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).