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

C56H35N3O2 — CID 138575034

IUPAC2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3-c3cccc4c3Oc3c(ccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)O4)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C56H35N3O2/c1-4-19-37(20-5-1)53-57-54(43-31-16-21-36-18-10-11-26-40(36)43)59-55(58-53)44-28-13-12-27-41(44)42-30-17-33-48-51(42)61-52-49(60-48)35-34-47-50(52)45-29-14-15-32-46(45)56(47,38-22-6-2-7-23-38)39-24-8-3-9-25-39/h1-35H
InChIKeyHIKOJVIWFGDZRH-UHFFFAOYSA-N
MW781.92 g/mol
LogP13.95
Rot. Bonds6

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

2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (PubChem CID 138575034) has the molecular formula C56H35N3O2 and a molecular weight of 781.92 g/mol. Its IUPAC name is 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
PubChem CID138575034
Molecular FormulaC56H35N3O2
Molecular Weight781.92 g/mol
Exact Mass781.27
IUPAC Name2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3-c3cccc4c3Oc3c(ccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)O4)nc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C56H35N3O2/c1-4-19-37(20-5-1)53-57-54(43-31-16-21-36-18-10-11-26-40(36)43)59-55(58-53)44-28-13-12-27-41(44)42-30-17-33-48-51(42)61-52-49(60-48)35-34-47-50(52)45-29-14-15-32-46(45)56(47,38-22-6-2-7-23-38)39-24-8-3-9-25-39/h1-35H
InChIKeyHIKOJVIWFGDZRH-UHFFFAOYSA-N
XLogP13.95
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.92
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138575185
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 138575186
2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 138576172
4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 138575818
2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138575578
2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 138575639
2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-triphenylen-2-ylpyrimidine
CID 138575109
2-(7,7-diphenylbenzo[c]fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465666
2-[3-(9,9-diphenylfluoren-4-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 146649016
2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575029
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138576122
4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 138575816

Frequently Asked Questions

What is the IUPAC name of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine (CID 138575034) is 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3-c3cccc4c3Oc3c(ccc5c3-c3ccccc3C5(c3ccccc3)c3ccccc3)O4)nc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
The InChIKey is HIKOJVIWFGDZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3O2/c1-4-19-37(20-5-1)53-57-54(43-31-16-21-36-18-10-11-26-40(36)43)59-55(58-53)44-28-13-12-27-41(44)42-30-17-33-48-51(42)61-52-49(60-48)35-34-47-50(52)45-29-14-15-32-46(45)56(47,38-22-6-2-7-23-38)39-24-8-3-9-25-39/h1-35H.
What are the key properties of 2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine?
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine has a molecular weight of 781.92 g/mol, XLogP of 13.95, 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-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 138575034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).