2-[4-[2-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

C53H33N3 — CID 168756531

IUPAC2-[4-[2-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5cccc(-c6ccc7c(c6)-c6cccc8cccc-7c68)c5)ccc5ccccc45)cc3)n2)cc1
InChIInChI=1S/C53H33N3/c1-3-13-37(14-4-1)51-54-52(38-15-5-2-6-16-38)56-53(55-51)39-26-24-36(25-27-39)49-43-21-8-7-12-34(43)28-30-44(49)42-20-9-19-40(32-42)41-29-31-45-46-22-10-17-35-18-11-23-47(50(35)46)48(45)33-41/h1-33H
InChIKeyVCNQYINIJAODFZ-UHFFFAOYSA-N
MW711.87 g/mol
LogP13.83
Rot. Bonds6

About 2-[4-[2-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-[2-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 168756531) has the molecular formula C53H33N3 and a molecular weight of 711.87 g/mol. Its IUPAC name is 2-[4-[2-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[2-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID168756531
Molecular FormulaC53H33N3
Molecular Weight711.87 g/mol
Exact Mass711.27
IUPAC Name2-[4-[2-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5cccc(-c6ccc7c(c6)-c6cccc8cccc-7c68)c5)ccc5ccccc45)cc3)n2)cc1
InChIInChI=1S/C53H33N3/c1-3-13-37(14-4-1)51-54-52(38-15-5-2-6-16-38)56-53(55-51)39-26-24-36(25-27-39)49-43-21-8-7-12-34(43)28-30-44(49)42-20-9-19-40(32-42)41-29-31-45-46-22-10-17-35-18-11-23-47(50(35)46)48(45)33-41/h1-33H
InChIKeyVCNQYINIJAODFZ-UHFFFAOYSA-N
XLogP13.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.87
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(4-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 168756397
2-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 168756345
2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 168756353
2-[4-(3-fluoranthen-8-ylnaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168756386
2,4-bis(4-tert-butylphenyl)-6-[3-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine
CID 168756347
2-[3-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 168756351
2-[3-(2-naphthalen-1-yl-4-phenylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297158
2,4-dinaphthalen-2-yl-6-[6-(1-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[6-(8-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,5-triazine
CID 165058520
4-[3-[3-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine
CID 168756342
2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine
CID 155404604
2-[1-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277694
2-[1-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277443

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[2-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 168756531) is 2-[4-[2-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[2-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[2-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5cccc(-c6ccc7c(c6)-c6cccc8cccc-7c68)c5)ccc5ccccc45)cc3)n2)cc1.
What is the InChIKey of 2-[4-[2-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is VCNQYINIJAODFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3/c1-3-13-37(14-4-1)51-54-52(38-15-5-2-6-16-38)56-53(55-51)39-26-24-36(25-27-39)49-43-21-8-7-12-34(43)28-30-44(49)42-20-9-19-40(32-42)41-29-31-45-46-22-10-17-35-18-11-23-47(50(35)46)48(45)33-41/h1-33H.
What are the key properties of 2-[4-[2-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[2-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 711.87 g/mol, XLogP of 13.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 168756531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).