2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine

C37H23N3 — CID 155404604

IUPAC2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)-c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4cccc-3c24)cc1
InChIInChI=1S/C37H23N3/c1-4-11-24(12-5-1)27-19-20-30-31-18-10-17-28-21-29(23-33(34(28)31)32(30)22-27)37-39-35(25-13-6-2-7-14-25)38-36(40-37)26-15-8-3-9-16-26/h1-23H
InChIKeyCVBCXBPHKMGWMB-UHFFFAOYSA-N
MW509.61 g/mol
LogP9.34
Rot. Bonds4

About 2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine

2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine (PubChem CID 155404604) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine
PubChem CID155404604
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)-c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4cccc-3c24)cc1
InChIInChI=1S/C37H23N3/c1-4-11-24(12-5-1)27-19-20-30-31-18-10-17-28-21-29(23-33(34(28)31)32(30)22-27)37-39-35(25-13-6-2-7-14-25)38-36(40-37)26-15-8-3-9-16-26/h1-23H
InChIKeyCVBCXBPHKMGWMB-UHFFFAOYSA-N
XLogP9.34
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,9-diphenylfluoranthene
CID 174565991
4-[4-(3-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 130295026
4-(4-fluoranthen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 130295244
4-[4-(4-fluoranthen-2-ylphenyl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 130295102
2-(3-fluoranthen-2-ylphenyl)-4,6-bis(4-phenylphenyl)pyrimidine
CID 130295035
2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene
CID 140801800
2-fluoranthen-2-yl-4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 137393164
2-[4-(3-fluoranthen-8-ylnaphthalen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 168756386
4-[3-(6-fluoranthen-2-ylnaphthalen-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 130295196
2-(6-fluoranthen-2-ylnaphthalen-2-yl)-4,6-diphenylpyrimidine
CID 130295192
9-[4-(4-fluoranthen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170109684
2-[4-[2-(4-fluoranthen-8-ylphenyl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 168756397

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine (CID 155404604) is 2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine is c1ccc(-c2ccc3c(c2)-c2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4cccc-3c24)cc1.
What is the InChIKey of 2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine?
The InChIKey is CVBCXBPHKMGWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c1-4-11-24(12-5-1)27-19-20-30-31-18-10-17-28-21-29(23-33(34(28)31)32(30)22-27)37-39-35(25-13-6-2-7-14-25)38-36(40-37)26-15-8-3-9-16-26/h1-23H.
What are the key properties of 2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine?
2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine has a molecular weight of 509.61 g/mol, XLogP of 9.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(9-phenylfluoranthen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 155404604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).