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

C41H28N4O2 — CID 138575917

IUPAC2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccn5)c4)n3)cc2O1
InChIInChI=1S/C41H28N4O2/c1-41(2)30-16-7-6-15-29(30)36-31(41)19-21-34-37(36)47-33-20-18-28(24-35(33)46-34)40-44-38(25-11-4-3-5-12-25)43-39(45-40)27-14-10-13-26(23-27)32-17-8-9-22-42-32/h3-24H,1-2H3
InChIKeyGNVVAAHUSBSSTJ-UHFFFAOYSA-N
MW608.70 g/mol
LogP10.14
Rot. Bonds4

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

2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine (PubChem CID 138575917) has the molecular formula C41H28N4O2 and a molecular weight of 608.70 g/mol. Its IUPAC name is 2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
PubChem CID138575917
Molecular FormulaC41H28N4O2
Molecular Weight608.70 g/mol
Exact Mass608.22
IUPAC Name2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccn5)c4)n3)cc2O1
InChIInChI=1S/C41H28N4O2/c1-41(2)30-16-7-6-15-29(30)36-31(41)19-21-34-37(36)47-33-20-18-28(24-35(33)46-34)40-44-38(25-11-4-3-5-12-25)43-39(45-40)27-14-10-13-26(23-27)32-17-8-9-22-42-32/h3-24H,1-2H3
InChIKeyGNVVAAHUSBSSTJ-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-(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-3-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138575084
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138575887
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
4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 138576173
2-[4-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 138573640
2-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 138575071
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 138576044
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138575450
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138575335

Frequently Asked Questions

What is the IUPAC name of 2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine (CID 138575917) is 2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2c1ccc1c2Oc2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccccn5)c4)n3)cc2O1.
What is the InChIKey of 2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine?
The InChIKey is GNVVAAHUSBSSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28N4O2/c1-41(2)30-16-7-6-15-29(30)36-31(41)19-21-34-37(36)47-33-20-18-28(24-35(33)46-34)40-44-38(25-11-4-3-5-12-25)43-39(45-40)27-14-10-13-26(23-27)32-17-8-9-22-42-32/h3-24H,1-2H3.
What are the key properties of 2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine?
2-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-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-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 138575917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).