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

C48H31N3O3 — CID 138575353

IUPAC2-dibenzofuran-3-yl-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)ccc2O1
InChIInChI=1S/C48H31N3O3/c1-48(2)36-18-10-8-17-35(36)43-37(48)23-25-40-44(43)54-42-26-29(21-24-39(42)53-40)31-14-6-7-16-34(31)47-50-45(28-12-4-3-5-13-28)49-46(51-47)30-20-22-33-32-15-9-11-19-38(32)52-41(33)27-30/h3-27H,1-2H3
InChIKeyMWAMEAPIBNIWPW-UHFFFAOYSA-N
MW697.79 g/mol
LogP12.64
Rot. Bonds4

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

2-dibenzofuran-3-yl-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 138575353) has the molecular formula C48H31N3O3 and a molecular weight of 697.79 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID138575353
Molecular FormulaC48H31N3O3
Molecular Weight697.79 g/mol
Exact Mass697.24
IUPAC Name2-dibenzofuran-3-yl-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)ccc2O1
InChIInChI=1S/C48H31N3O3/c1-48(2)36-18-10-8-17-35(36)43-37(48)23-25-40-44(43)54-42-26-29(21-24-39(42)53-40)31-14-6-7-16-34(31)47-50-45(28-12-4-3-5-13-28)49-46(51-47)30-20-22-33-32-15-9-11-19-38(32)52-41(33)27-30/h3-27H,1-2H3
InChIKeyMWAMEAPIBNIWPW-UHFFFAOYSA-N
XLogP12.64
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.79
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138575335
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 138575901
9-[4-[4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138575205
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-3-yl)-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 138576153
2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138574917
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-dibenzothiophen-3-yl-4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575083
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
9-[4-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138575623
2-dibenzofuran-3-yl-4-(7,7-dimethylbenzo[c]fluoren-5-yl)-6-phenyl-1,3,5-triazine
CID 155474303

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazine (CID 138575353) is 2-dibenzofuran-3-yl-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2c1ccc1c2Oc2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)ccc2O1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is MWAMEAPIBNIWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3O3/c1-48(2)36-18-10-8-17-35(36)43-37(48)23-25-40-44(43)54-42-26-29(21-24-39(42)53-40)31-14-6-7-16-34(31)47-50-45(28-12-4-3-5-13-28)49-46(51-47)30-20-22-33-32-15-9-11-19-38(32)52-41(33)27-30/h3-27H,1-2H3.
What are the key properties of 2-dibenzofuran-3-yl-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-3-yl-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 697.79 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 138575353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).