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

C54H37N3O2 — CID 138576210

IUPAC2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2cccc(-c3ccccc3-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2O1
InChIInChI=1S/C54H37N3O2/c1-54(2)44-22-12-11-20-43(44)48-45(54)32-33-47-50(48)59-46-23-13-21-41(49(46)58-47)40-18-9-10-19-42(40)53-56-51(38-28-24-36(25-29-38)34-14-5-3-6-15-34)55-52(57-53)39-30-26-37(27-31-39)35-16-7-4-8-17-35/h3-33H,1-2H3
InChIKeyIOLCMNSLWKXJOA-UHFFFAOYSA-N
MW759.91 g/mol
LogP14.08
Rot. Bonds6

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

2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 138576210) has the molecular formula C54H37N3O2 and a molecular weight of 759.91 g/mol. Its IUPAC name is 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID138576210
Molecular FormulaC54H37N3O2
Molecular Weight759.91 g/mol
Exact Mass759.29
IUPAC Name2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2cccc(-c3ccccc3-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2O1
InChIInChI=1S/C54H37N3O2/c1-54(2)44-22-12-11-20-43(44)48-45(54)32-33-47-50(48)59-46-23-13-21-41(49(46)58-47)40-18-9-10-19-42(40)53-56-51(38-28-24-36(25-29-38)34-14-5-3-6-15-34)55-52(57-53)39-30-26-37(27-31-39)35-16-7-4-8-17-35/h3-33H,1-2H3
InChIKeyIOLCMNSLWKXJOA-UHFFFAOYSA-N
XLogP14.08
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.91
LogP ≤ 514.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 138576199
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 138575338
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138574909
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 142560925
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-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138575335
4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 138575587
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-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138575185
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
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138575760
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138575887

Frequently Asked Questions

What is the IUPAC name of 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 138576210) is 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2-c2c1ccc1c2Oc2cccc(-c3ccccc3-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2O1.
What is the InChIKey of 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is IOLCMNSLWKXJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3O2/c1-54(2)44-22-12-11-20-43(44)48-45(54)32-33-47-50(48)59-46-23-13-21-41(49(46)58-47)40-18-9-10-19-42(40)53-56-51(38-28-24-36(25-29-38)34-14-5-3-6-15-34)55-52(57-53)39-30-26-37(27-31-39)35-16-7-4-8-17-35/h3-33H,1-2H3.
What are the key properties of 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 759.91 g/mol, XLogP of 14.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 138576210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).