2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C48H33N3O2 — CID 138575887

IUPAC2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)ccc2O1
InChIInChI=1S/C48H33N3O2/c1-48(2)38-19-10-9-18-37(38)43-39(48)25-27-41-44(43)53-42-29-35(24-26-40(42)52-41)31-20-22-33(23-21-31)46-49-45(32-14-7-4-8-15-32)50-47(51-46)36-17-11-16-34(28-36)30-12-5-3-6-13-30/h3-29H,1-2H3
InChIKeyUPEOCCYUPVJCBT-UHFFFAOYSA-N
MW683.81 g/mol
LogP12.41
Rot. Bonds5

About 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 138575887) has the molecular formula C48H33N3O2 and a molecular weight of 683.81 g/mol. Its IUPAC name is 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID138575887
Molecular FormulaC48H33N3O2
Molecular Weight683.81 g/mol
Exact Mass683.26
IUPAC Name2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)ccc2O1
InChIInChI=1S/C48H33N3O2/c1-48(2)38-19-10-9-18-37(38)43-39(48)25-27-41-44(43)53-42-29-35(24-26-40(42)52-41)31-20-22-33(23-21-31)46-49-45(32-14-7-4-8-15-32)50-47(51-46)36-17-11-16-34(28-36)30-12-5-3-6-13-30/h3-29H,1-2H3
InChIKeyUPEOCCYUPVJCBT-UHFFFAOYSA-N
XLogP12.41
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.81
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138575760
2-(9,9-dimethylfluoren-2-yl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575751
4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 138575293
2-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 138575071
4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 138576173
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 138575901
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138575335
2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 138575917
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138575084
2-[3-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 138576140
2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138574917
2-dibenzothiophen-3-yl-4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575083

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 138575887) is 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2c1ccc1c2Oc2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)ccc2O1.
What is the InChIKey of 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is UPEOCCYUPVJCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3O2/c1-48(2)38-19-10-9-18-37(38)43-39(48)25-27-41-44(43)53-42-29-35(24-26-40(42)52-41)31-20-22-33(23-21-31)46-49-45(32-14-7-4-8-15-32)50-47(51-46)36-17-11-16-34(28-36)30-12-5-3-6-13-30/h3-29H,1-2H3.
What are the key properties of 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 683.81 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 138575887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).