9-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole

C59H37N3O2 — CID 138574944

IUPAC9-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cccc4c3Oc3c(ccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)O4)n2)cc1
InChIInChI=1S/C59H37N3O2/c1-4-17-38(18-5-1)49-37-50(39-31-33-42(34-32-39)62-51-28-14-11-23-43(51)44-24-12-15-29-52(44)62)61-58(60-49)46-26-16-30-53-56(46)64-57-54(63-53)36-35-48-55(57)45-25-10-13-27-47(45)59(48,40-19-6-2-7-20-40)41-21-8-3-9-22-41/h1-37H
InChIKeyFXAYAADTKCTTFK-UHFFFAOYSA-N
MW819.96 g/mol
LogP14.84
Rot. Bonds6

About 9-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole

9-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole (PubChem CID 138574944) has the molecular formula C59H37N3O2 and a molecular weight of 819.96 g/mol. Its IUPAC name is 9-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
PubChem CID138574944
Molecular FormulaC59H37N3O2
Molecular Weight819.96 g/mol
Exact Mass819.29
IUPAC Name9-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cccc4c3Oc3c(ccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)O4)n2)cc1
InChIInChI=1S/C59H37N3O2/c1-4-17-38(18-5-1)49-37-50(39-31-33-42(34-32-39)62-51-28-14-11-23-43(51)44-24-12-15-29-52(44)62)61-58(60-49)46-26-16-30-53-56(46)64-57-54(63-53)36-35-48-55(57)45-25-10-13-27-47(45)59(48,40-19-6-2-7-20-40)41-21-8-3-9-22-41/h1-37H
InChIKeyFXAYAADTKCTTFK-UHFFFAOYSA-N
XLogP14.84
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.96
LogP ≤ 514.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 138575818
4-(3-chlorophenyl)-2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidine
CID 138576055
2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-triphenylen-2-ylpyrimidine
CID 138575109
9-[4-[4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138575389
4-(4-dibenzofuran-4-ylphenyl)-2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine
CID 138575105
2-[3-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 138575631
4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 142561006
9-[4-[4-(9,9-diphenylfluoren-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126543721
9-[4-[4-[4-(1-benzofuran-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)pyrimidin-2-yl]phenyl]carbazole
CID 146183278
9-[4-[4-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138573410
9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 137388498
2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 138575639

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole (CID 138574944) is 9-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3cccc4c3Oc3c(ccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)O4)n2)cc1.
What is the InChIKey of 9-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole?
The InChIKey is FXAYAADTKCTTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3O2/c1-4-17-38(18-5-1)49-37-50(39-31-33-42(34-32-39)62-51-28-14-11-23-43(51)44-24-12-15-29-52(44)62)61-58(60-49)46-26-16-30-53-56(46)64-57-54(63-53)36-35-48-55(57)45-25-10-13-27-47(45)59(48,40-19-6-2-7-20-40)41-21-8-3-9-22-41/h1-37H.
What are the key properties of 9-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole?
9-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole has a molecular weight of 819.96 g/mol, XLogP of 14.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenylpyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 138574944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).