2-(9,9-dimethylfluoren-2-yl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine

C51H37N3O2 — CID 138575751

IUPAC2-(9,9-dimethylfluoren-2-yl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)Oc5ccc7c(c5O6)-c5ccccc5C7(C)C)c4)n3)cc21
InChIInChI=1S/C51H37N3O2/c1-50(2)39-20-11-9-18-37(39)45-40(50)24-26-43-46(45)56-42-25-22-32(29-44(42)55-43)31-15-12-16-33(27-31)48-52-47(30-13-6-5-7-14-30)53-49(54-48)34-21-23-36-35-17-8-10-19-38(35)51(3,4)41(36)28-34/h5-29H,1-4H3
InChIKeyGBOOLSPBYUAHDU-UHFFFAOYSA-N
MW723.88 g/mol
LogP13.05
Rot. Bonds4

About 2-(9,9-dimethylfluoren-2-yl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine

2-(9,9-dimethylfluoren-2-yl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 138575751) has the molecular formula C51H37N3O2 and a molecular weight of 723.88 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID138575751
Molecular FormulaC51H37N3O2
Molecular Weight723.88 g/mol
Exact Mass723.29
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)Oc5ccc7c(c5O6)-c5ccccc5C7(C)C)c4)n3)cc21
InChIInChI=1S/C51H37N3O2/c1-50(2)39-20-11-9-18-37(39)45-40(50)24-26-43-46(45)56-42-25-22-32(29-44(42)55-43)31-15-12-16-33(27-31)48-52-47(30-13-6-5-7-14-30)53-49(54-48)34-21-23-36-35-17-8-10-19-38(35)51(3,4)41(36)28-34/h5-29H,1-4H3
InChIKeyGBOOLSPBYUAHDU-UHFFFAOYSA-N
XLogP13.05
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.88
LogP ≤ 513.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-(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-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-[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-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138575084
4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 138576153

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 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) is 2-(9,9-dimethylfluoren-2-yl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)Oc5ccc7c(c5O6)-c5ccccc5C7(C)C)c4)n3)cc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is GBOOLSPBYUAHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N3O2/c1-50(2)39-20-11-9-18-37(39)45-40(50)24-26-43-46(45)56-42-25-22-32(29-44(42)55-43)31-15-12-16-33(27-31)48-52-47(30-13-6-5-7-14-30)53-49(54-48)34-21-23-36-35-17-8-10-19-38(35)51(3,4)41(36)28-34/h5-29H,1-4H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-(9,9-dimethylfluoren-2-yl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 723.88 g/mol, XLogP of 13.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-2-yl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 138575751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).