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

C47H29N3 — CID 168756386

IUPAC2-[4-(3-fluoranthen-8-ylnaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5ccccc5cc4-c4ccc5c(c4)-c4cccc6cccc-5c46)cc3)n2)cc1
InChIInChI=1S/C47H29N3/c1-3-11-32(12-4-1)45-48-46(33-13-5-2-6-14-33)50-47(49-45)34-23-21-30(22-24-34)41-27-35-15-7-8-16-36(35)28-42(41)37-25-26-38-39-19-9-17-31-18-10-20-40(44(31)39)43(38)29-37/h1-29H
InChIKeyKWLWDHWNLXIYAH-UHFFFAOYSA-N
MW635.77 g/mol
LogP12.16
Rot. Bonds5

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

2-[4-(3-fluoranthen-8-ylnaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 168756386) has the molecular formula C47H29N3 and a molecular weight of 635.77 g/mol. Its IUPAC name is 2-[4-(3-fluoranthen-8-ylnaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(3-fluoranthen-8-ylnaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID168756386
Molecular FormulaC47H29N3
Molecular Weight635.77 g/mol
Exact Mass635.24
IUPAC Name2-[4-(3-fluoranthen-8-ylnaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5ccccc5cc4-c4ccc5c(c4)-c4cccc6cccc-5c46)cc3)n2)cc1
InChIInChI=1S/C47H29N3/c1-3-11-32(12-4-1)45-48-46(33-13-5-2-6-14-33)50-47(49-45)34-23-21-30(22-24-34)41-27-35-15-7-8-16-36(35)28-42(41)37-25-26-38-39-19-9-17-31-18-10-20-40(44(31)39)43(38)29-37/h1-29H
InChIKeyKWLWDHWNLXIYAH-UHFFFAOYSA-N
XLogP12.16
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.77
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine
CID 155404604
2-[4-[2-(3-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168756531
2-[4-[2-(4-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 168756397
2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-ylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174267901
2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052388
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-phenyl-4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052601
1-[2-phenyl-4-(3-pyren-1-ylnaphthalen-2-yl)phenyl]pyrene
CID 169303240
2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 169297295
2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine;2-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 160870715
2-[3-[3-(2,4-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171440358
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
2-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 146187775

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoranthen-8-ylnaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(3-fluoranthen-8-ylnaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 168756386) is 2-[4-(3-fluoranthen-8-ylnaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(3-fluoranthen-8-ylnaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(3-fluoranthen-8-ylnaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5ccccc5cc4-c4ccc5c(c4)-c4cccc6cccc-5c46)cc3)n2)cc1.
What is the InChIKey of 2-[4-(3-fluoranthen-8-ylnaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is KWLWDHWNLXIYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3/c1-3-11-32(12-4-1)45-48-46(33-13-5-2-6-14-33)50-47(49-45)34-23-21-30(22-24-34)41-27-35-15-7-8-16-36(35)28-42(41)37-25-26-38-39-19-9-17-31-18-10-20-40(44(31)39)43(38)29-37/h1-29H.
What are the key properties of 2-[4-(3-fluoranthen-8-ylnaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-(3-fluoranthen-8-ylnaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 635.77 g/mol, XLogP of 12.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoranthen-8-ylnaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 168756386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).