2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,2-dihydropyrimidine

C59H40N2O2 — CID 138575916

IUPAC2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,2-dihydropyrimidine
SMILESC1=C(c2ccccc2-c2ccccc2)NC(c2ccc(-c3ccc4c(c3)Oc3ccc5c(c3O4)-c3ccccc3C5(c3ccccc3)c3ccccc3)cc2)N=C1c1ccccc1
InChIInChI=1S/C59H40N2O2/c1-5-17-40(18-6-1)46-25-13-14-26-47(46)52-38-51(41-19-7-2-8-20-41)60-58(61-52)42-31-29-39(30-32-42)43-33-35-53-55(37-43)62-54-36-34-50-56(57(54)63-53)48-27-15-16-28-49(48)59(50,44-21-9-3-10-22-44)45-23-11-4-12-24-45/h1-38,58,61H
InChIKeyRTAQAGANVFYQFX-UHFFFAOYSA-N
MW808.98 g/mol
LogP14.41
Rot. Bonds7

About 2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,2-dihydropyrimidine

2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,2-dihydropyrimidine (PubChem CID 138575916) has the molecular formula C59H40N2O2 and a molecular weight of 808.98 g/mol. Its IUPAC name is 2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,2-dihydropyrimidine.

Molecular Properties

Compound Name2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,2-dihydropyrimidine
PubChem CID138575916
Molecular FormulaC59H40N2O2
Molecular Weight808.98 g/mol
Exact Mass808.31
IUPAC Name2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,2-dihydropyrimidine
SMILESC1=C(c2ccccc2-c2ccccc2)NC(c2ccc(-c3ccc4c(c3)Oc3ccc5c(c3O4)-c3ccccc3C5(c3ccccc3)c3ccccc3)cc2)N=C1c1ccccc1
InChIInChI=1S/C59H40N2O2/c1-5-17-40(18-6-1)46-25-13-14-26-47(46)52-38-51(41-19-7-2-8-20-41)60-58(61-52)42-31-29-39(30-32-42)43-33-35-53-55(37-43)62-54-36-34-50-56(57(54)63-53)48-27-15-16-28-49(48)59(50,44-21-9-3-10-22-44)45-23-11-4-12-24-45/h1-38,58,61H
InChIKeyRTAQAGANVFYQFX-UHFFFAOYSA-N
XLogP14.41
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.98
LogP ≤ 514.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138576122
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-4,6-diphenylpyridine
CID 138575483
2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 138575666
4,6-diphenyl-2-[3-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,2-dihydropyrimidine
CID 137388504
2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene
CID 138575019
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-naphthalen-1-yl-4-phenylpyridine
CID 138576075
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
CID 146184521
CID 146184521
2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 138575608
3-iodo-8,8-diphenylindeno[1,2-a]oxanthrene
CID 138581719
4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 138576040
10-phenyl-2'-[3-[2-[4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidin-6-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263445

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,2-dihydropyrimidine?
The IUPAC name of 2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,2-dihydropyrimidine (CID 138575916) is 2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,2-dihydropyrimidine.
What is the SMILES notation for 2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,2-dihydropyrimidine?
The canonical SMILES for 2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,2-dihydropyrimidine is C1=C(c2ccccc2-c2ccccc2)NC(c2ccc(-c3ccc4c(c3)Oc3ccc5c(c3O4)-c3ccccc3C5(c3ccccc3)c3ccccc3)cc2)N=C1c1ccccc1.
What is the InChIKey of 2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,2-dihydropyrimidine?
The InChIKey is RTAQAGANVFYQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2O2/c1-5-17-40(18-6-1)46-25-13-14-26-47(46)52-38-51(41-19-7-2-8-20-41)60-58(61-52)42-31-29-39(30-32-42)43-33-35-53-55(37-43)62-54-36-34-50-56(57(54)63-53)48-27-15-16-28-49(48)59(50,44-21-9-3-10-22-44)45-23-11-4-12-24-45/h1-38,58,61H.
What are the key properties of 2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,2-dihydropyrimidine?
2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,2-dihydropyrimidine has a molecular weight of 808.98 g/mol, XLogP of 14.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,2-dihydropyrimidine is sourced from PubChem (CID 138575916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).