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

C41H28N4O2 — CID 138575450

IUPAC2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccn4)n3)cc2)O1
InChIInChI=1S/C41H28N4O2/c1-41(2)30-15-7-6-13-29(30)35-31(41)22-23-34-37(35)47-36-28(14-10-17-33(36)46-34)25-18-20-27(21-19-25)39-43-38(26-11-4-3-5-12-26)44-40(45-39)32-16-8-9-24-42-32/h3-24H,1-2H3
InChIKeyAGMPDHBRUBLFRO-UHFFFAOYSA-N
MW608.70 g/mol
LogP10.14
Rot. Bonds4

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

2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine (PubChem CID 138575450) has the molecular formula C41H28N4O2 and a molecular weight of 608.70 g/mol. Its IUPAC name is 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
PubChem CID138575450
Molecular FormulaC41H28N4O2
Molecular Weight608.70 g/mol
Exact Mass608.22
IUPAC Name2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccn4)n3)cc2)O1
InChIInChI=1S/C41H28N4O2/c1-41(2)30-15-7-6-13-29(30)35-31(41)22-23-34-37(35)47-36-28(14-10-17-33(36)46-34)25-18-20-27(21-19-25)39-43-38(26-11-4-3-5-12-26)44-40(45-39)32-16-8-9-24-42-32/h3-24H,1-2H3
InChIKeyAGMPDHBRUBLFRO-UHFFFAOYSA-N
XLogP10.14
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.70
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138574909
2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138574917
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 138576199
2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138575578
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-[4-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 138575300
2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 138575917
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 138576210
2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 138576172
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4,6-diphenylpyridine
CID 138575674
2-(4-dibenzofuran-4-ylphenyl)-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575396
4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 138575587

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine (CID 138575450) is 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine is CC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccn4)n3)cc2)O1.
What is the InChIKey of 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
The InChIKey is AGMPDHBRUBLFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4O2/c1-41(2)30-15-7-6-13-29(30)35-31(41)22-23-34-37(35)47-36-28(14-10-17-33(36)46-34)25-18-20-27(21-19-25)39-43-38(26-11-4-3-5-12-26)44-40(45-39)32-16-8-9-24-42-32/h3-24H,1-2H3.
What are the key properties of 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine?
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine has a molecular weight of 608.70 g/mol, XLogP of 10.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 138575450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).