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

C58H35N3O2 — CID 138575608

IUPAC2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)Oc3ccc5c(c3O4)-c3ccccc3C5(c3ccccc3)c3ccccc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1
InChIInChI=1S/C58H35N3O2/c1-4-16-36(17-5-1)55-59-56(37-28-30-45-43-24-11-10-22-41(43)42-23-12-13-25-44(42)47(45)34-37)61-57(60-55)38-29-32-50-52(35-38)62-51-33-31-49-53(54(51)63-50)46-26-14-15-27-48(46)58(49,39-18-6-2-7-19-39)40-20-8-3-9-21-40/h1-35H
InChIKeyRXWWDVBSENODSU-UHFFFAOYSA-N
MW805.94 g/mol
LogP14.59
Rot. Bonds5

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

2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine (PubChem CID 138575608) has the molecular formula C58H35N3O2 and a molecular weight of 805.94 g/mol. Its IUPAC name is 2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
PubChem CID138575608
Molecular FormulaC58H35N3O2
Molecular Weight805.94 g/mol
Exact Mass805.27
IUPAC Name2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)Oc3ccc5c(c3O4)-c3ccccc3C5(c3ccccc3)c3ccccc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1
InChIInChI=1S/C58H35N3O2/c1-4-16-36(17-5-1)55-59-56(37-28-30-45-43-24-11-10-22-41(43)42-23-12-13-25-44(42)47(45)34-37)61-57(60-55)38-29-32-50-52(35-38)62-51-33-31-49-53(54(51)63-50)46-26-14-15-27-48(46)58(49,39-18-6-2-7-19-39)40-20-8-3-9-21-40/h1-35H
InChIKeyRXWWDVBSENODSU-UHFFFAOYSA-N
XLogP14.59
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.94
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 138576040
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-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138576122
2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine
CID 138575666
2-[3-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)phenyl]-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 138573346
4-dibenzofuran-3-yl-6-[4-(8,8-diphenylindeno[1,2-a]oxanthren-2-yl)phenyl]-2-phenylpyrimidine
CID 138574969
2-[4-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-triphenylen-2-ylpyrimidine
CID 138575109
2-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 138573675
4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)-2-phenyl-6-triphenylen-2-ylpyrimidine
CID 138576153
2-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 138576044
3-[3-[4-[2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 138576048
2-(8,8-diphenylindeno[1,2-a]oxanthren-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 138575639

Frequently Asked Questions

What is the IUPAC name of 2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine (CID 138575608) is 2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)Oc3ccc5c(c3O4)-c3ccccc3C5(c3ccccc3)c3ccccc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)cc1.
What is the InChIKey of 2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine?
The InChIKey is RXWWDVBSENODSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3O2/c1-4-16-36(17-5-1)55-59-56(37-28-30-45-43-24-11-10-22-41(43)42-23-12-13-25-44(42)47(45)34-37)61-57(60-55)38-29-32-50-52(35-38)62-51-33-31-49-53(54(51)63-50)46-26-14-15-27-48(46)58(49,39-18-6-2-7-19-39)40-20-8-3-9-21-40/h1-35H.
What are the key properties of 2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine?
2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine has a molecular weight of 805.94 g/mol, XLogP of 14.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8,8-diphenylindeno[1,2-a]oxanthren-3-yl)-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine is sourced from PubChem (CID 138575608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).