2-dibenzothiophen-3-yl-4-[3-(8,8-dimethyl-4a,13a-dihydroindeno[1,2-a]oxanthren-4-yl)phenyl]-6-phenyl-1,3,5-triazine

C48H33N3O2S — CID 138575743

IUPAC2-dibenzothiophen-3-yl-4-[3-(8,8-dimethyl-4a,13a-dihydroindeno[1,2-a]oxanthren-4-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2OC2C=CC=C(c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)sc5ccccc56)n4)c3)C2O1
InChIInChI=1S/C48H33N3O2S/c1-48(2)36-19-8-6-17-35(36)42-37(48)24-25-39-44(42)53-38-20-11-18-32(43(38)52-39)29-14-10-15-30(26-29)46-49-45(28-12-4-3-5-13-28)50-47(51-46)31-22-23-34-33-16-7-9-21-40(33)54-41(34)27-31/h3-27,38,43H,1-2H3
InChIKeyUYJVCXOBSKZOKR-UHFFFAOYSA-N
MW715.88 g/mol
LogP11.71
Rot. Bonds4

About 2-dibenzothiophen-3-yl-4-[3-(8,8-dimethyl-4a,13a-dihydroindeno[1,2-a]oxanthren-4-yl)phenyl]-6-phenyl-1,3,5-triazine

2-dibenzothiophen-3-yl-4-[3-(8,8-dimethyl-4a,13a-dihydroindeno[1,2-a]oxanthren-4-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 138575743) has the molecular formula C48H33N3O2S and a molecular weight of 715.88 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-[3-(8,8-dimethyl-4a,13a-dihydroindeno[1,2-a]oxanthren-4-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-4-[3-(8,8-dimethyl-4a,13a-dihydroindeno[1,2-a]oxanthren-4-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID138575743
Molecular FormulaC48H33N3O2S
Molecular Weight715.88 g/mol
Exact Mass715.23
IUPAC Name2-dibenzothiophen-3-yl-4-[3-(8,8-dimethyl-4a,13a-dihydroindeno[1,2-a]oxanthren-4-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2OC2C=CC=C(c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)sc5ccccc56)n4)c3)C2O1
InChIInChI=1S/C48H33N3O2S/c1-48(2)36-19-8-6-17-35(36)42-37(48)24-25-39-44(42)53-38-20-11-18-32(43(38)52-39)29-14-10-15-30(26-29)46-49-45(28-12-4-3-5-13-28)50-47(51-46)31-22-23-34-33-16-7-9-21-40(33)54-41(34)27-31/h3-27,38,43H,1-2H3
InChIKeyUYJVCXOBSKZOKR-UHFFFAOYSA-N
XLogP11.71
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.88
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-dibenzothiophen-3-yl-4-[3-(8,8-dimethyl-4a,13a-dihydroindeno[1,2-a]oxanthren-4-yl)phenyl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

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-dibenzothiophen-3-yl-4-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166995664
2-dibenzothiophen-3-yl-4-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-16-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138573899
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(9-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 170680805
4-dibenzothiophen-3-yl-6-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168777142
[4-[4-dibenzothiophen-3-yl-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
CID 177088299
2-dibenzothiophen-3-yl-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138576130
2-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 156828267
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenyl-6-[4-[8-(4-phenylphenyl)dibenzothiophen-1-yl]phenyl]-1,3,5-triazine
CID 134199161
2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-dimethylfluoren-4-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 156828286
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-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138575887

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-4-[3-(8,8-dimethyl-4a,13a-dihydroindeno[1,2-a]oxanthren-4-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-3-yl-4-[3-(8,8-dimethyl-4a,13a-dihydroindeno[1,2-a]oxanthren-4-yl)phenyl]-6-phenyl-1,3,5-triazine (CID 138575743) is 2-dibenzothiophen-3-yl-4-[3-(8,8-dimethyl-4a,13a-dihydroindeno[1,2-a]oxanthren-4-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-3-yl-4-[3-(8,8-dimethyl-4a,13a-dihydroindeno[1,2-a]oxanthren-4-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-3-yl-4-[3-(8,8-dimethyl-4a,13a-dihydroindeno[1,2-a]oxanthren-4-yl)phenyl]-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2c1ccc1c2OC2C=CC=C(c3cccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)sc5ccccc56)n4)c3)C2O1.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-[3-(8,8-dimethyl-4a,13a-dihydroindeno[1,2-a]oxanthren-4-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is UYJVCXOBSKZOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3O2S/c1-48(2)36-19-8-6-17-35(36)42-37(48)24-25-39-44(42)53-38-20-11-18-32(43(38)52-39)29-14-10-15-30(26-29)46-49-45(28-12-4-3-5-13-28)50-47(51-46)31-22-23-34-33-16-7-9-21-40(33)54-41(34)27-31/h3-27,38,43H,1-2H3.
What are the key properties of 2-dibenzothiophen-3-yl-4-[3-(8,8-dimethyl-4a,13a-dihydroindeno[1,2-a]oxanthren-4-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-dibenzothiophen-3-yl-4-[3-(8,8-dimethyl-4a,13a-dihydroindeno[1,2-a]oxanthren-4-yl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 715.88 g/mol, XLogP of 11.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-3-yl-4-[3-(8,8-dimethyl-4a,13a-dihydroindeno[1,2-a]oxanthren-4-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 138575743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).