2-phenyl-4-(4-phenylphenyl)-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine

C53H35N3 — CID 153302047

IUPAC2-phenyl-4-(4-phenylphenyl)-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4c5ccccc5c(-c5ccccc5-c5ccc(-c6ccccc6)cc5)c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C53H35N3/c1-4-16-36(17-5-1)38-28-32-40(33-29-38)43-22-10-11-23-44(43)49-45-24-12-14-26-47(45)50(48-27-15-13-25-46(48)49)53-55-51(41-20-8-3-9-21-41)54-52(56-53)42-34-30-39(31-35-42)37-18-6-2-7-19-37/h1-35H
InChIKeyRKCVMBXCKUDZMM-UHFFFAOYSA-N
MW713.88 g/mol
LogP13.85
Rot. Bonds7

About 2-phenyl-4-(4-phenylphenyl)-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine

2-phenyl-4-(4-phenylphenyl)-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine (PubChem CID 153302047) has the molecular formula C53H35N3 and a molecular weight of 713.88 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine
PubChem CID153302047
Molecular FormulaC53H35N3
Molecular Weight713.88 g/mol
Exact Mass713.28
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4c5ccccc5c(-c5ccccc5-c5ccc(-c6ccccc6)cc5)c5ccccc45)n3)cc2)cc1
InChIInChI=1S/C53H35N3/c1-4-16-36(17-5-1)38-28-32-40(33-29-38)43-22-10-11-23-44(43)49-45-24-12-14-26-47(45)50(48-27-15-13-25-46(48)49)53-55-51(41-20-8-3-9-21-41)54-52(56-53)42-34-30-39(31-35-42)37-18-6-2-7-19-37/h1-35H
InChIKeyRKCVMBXCKUDZMM-UHFFFAOYSA-N
XLogP13.85
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-4-(3-phenylphenyl)-6-[3-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]-1,3,5-triazine
CID 147995292
9,10-bis[2-(4-phenylphenyl)phenyl]anthracene
CID 59090311
2,4-diphenyl-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine;2-(10-naphthalen-1-ylanthracen-9-yl)-4,6-diphenyl-1,3,5-triazine;2-(10-naphthalen-2-ylanthracen-9-yl)-4,6-diphenyl-1,3,5-triazine;2-(10-naphthalen-2-ylanthracen-9-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(10-phenylanthracen-9-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[10-(2-phenylphenyl)anthracen-9-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine
CID 160718534
9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797
2,4-diphenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine
CID 58454367
4-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-2,6-diphenylpyrimidine
CID 59722052
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381
4-[4-(2-phenylphenyl)-6-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazin-2-yl]benzonitrile
CID 156547530
2,4-bis[4-(2-phenylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052493
2,4-diphenyl-6-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]-1,3,5-triazine
CID 126667576
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]phenyl]-1,3,5-triazine
CID 170939935
2-[4-[4-(2-fluoranthen-3-ylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170003614

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine (CID 153302047) is 2-phenyl-4-(4-phenylphenyl)-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4c5ccccc5c(-c5ccccc5-c5ccc(-c6ccccc6)cc5)c5ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine?
The InChIKey is RKCVMBXCKUDZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3/c1-4-16-36(17-5-1)38-28-32-40(33-29-38)43-22-10-11-23-44(43)49-45-24-12-14-26-47(45)50(48-27-15-13-25-46(48)49)53-55-51(41-20-8-3-9-21-41)54-52(56-53)42-34-30-39(31-35-42)37-18-6-2-7-19-37/h1-35H.
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine?
2-phenyl-4-(4-phenylphenyl)-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine has a molecular weight of 713.88 g/mol, XLogP of 13.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenyl)-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine is sourced from PubChem (CID 153302047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).