2-[3,5-di(fluoranthen-3-yl)phenyl]-1,3,5-triazine

C41H23N3 — CID 144968008

IUPAC2-[3,5-di(fluoranthen-3-yl)phenyl]-1,3,5-triazine
SMILESc1ccc2c(c1)-c1cccc3c(-c4cc(-c5ncncn5)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)ccc-2c13
InChIInChI=1S/C41H23N3/c1-3-9-31-29(7-1)35-13-5-11-33-27(15-17-37(31)39(33)35)24-19-25(21-26(20-24)41-43-22-42-23-44-41)28-16-18-38-32-10-4-2-8-30(32)36-14-6-12-34(28)40(36)38/h1-23H
InChIKeyARQKCHUGOQFXRL-UHFFFAOYSA-N
MW557.66 g/mol
LogP10.47
Rot. Bonds3

About 2-[3,5-di(fluoranthen-3-yl)phenyl]-1,3,5-triazine

2-[3,5-di(fluoranthen-3-yl)phenyl]-1,3,5-triazine (PubChem CID 144968008) has the molecular formula C41H23N3 and a molecular weight of 557.66 g/mol. Its IUPAC name is 2-[3,5-di(fluoranthen-3-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[3,5-di(fluoranthen-3-yl)phenyl]-1,3,5-triazine
PubChem CID144968008
Molecular FormulaC41H23N3
Molecular Weight557.66 g/mol
Exact Mass557.19
IUPAC Name2-[3,5-di(fluoranthen-3-yl)phenyl]-1,3,5-triazine
SMILESc1ccc2c(c1)-c1cccc3c(-c4cc(-c5ncncn5)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)ccc-2c13
InChIInChI=1S/C41H23N3/c1-3-9-31-29(7-1)35-13-5-11-33-27(15-17-37(31)39(33)35)24-19-25(21-26(20-24)41-43-22-42-23-44-41)28-16-18-38-32-10-4-2-8-30(32)36-14-6-12-34(28)40(36)38/h1-23H
InChIKeyARQKCHUGOQFXRL-UHFFFAOYSA-N
XLogP10.47
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.66
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-fluoranthen-3-yl-6-phenylpyrimidin-4-yl)phenyl]-1,3,5-triazine
CID 130263791
2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-1-yl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine
CID 153466253
2-[3-[2-[2-[3,5-bis(1,3,5-triazin-2-yl)phenyl]phenoxy]phenyl]-5-(1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine
CID 118516424
3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466310
4-[2-(3-fluoranthen-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 170003223
4,6-bis(4-fluoranthen-3-ylphenyl)-2-phenylpyrimidine
CID 59779601
2-[5-(3-benzo[k]fluoranthen-3-ylphenyl)naphthalen-2-yl]pyrimidine
CID 121287573
3-(3-methylphenyl)fluoranthene
CID 123478210
2-anthracen-1-yl-1,3,5-triazine
CID 87717818
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 170003344

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(fluoranthen-3-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-[3,5-di(fluoranthen-3-yl)phenyl]-1,3,5-triazine (CID 144968008) is 2-[3,5-di(fluoranthen-3-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-[3,5-di(fluoranthen-3-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-[3,5-di(fluoranthen-3-yl)phenyl]-1,3,5-triazine is c1ccc2c(c1)-c1cccc3c(-c4cc(-c5ncncn5)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)ccc-2c13.
What is the InChIKey of 2-[3,5-di(fluoranthen-3-yl)phenyl]-1,3,5-triazine?
The InChIKey is ARQKCHUGOQFXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H23N3/c1-3-9-31-29(7-1)35-13-5-11-33-27(15-17-37(31)39(33)35)24-19-25(21-26(20-24)41-43-22-42-23-44-41)28-16-18-38-32-10-4-2-8-30(32)36-14-6-12-34(28)40(36)38/h1-23H.
What are the key properties of 2-[3,5-di(fluoranthen-3-yl)phenyl]-1,3,5-triazine?
2-[3,5-di(fluoranthen-3-yl)phenyl]-1,3,5-triazine has a molecular weight of 557.66 g/mol, XLogP of 10.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(fluoranthen-3-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 144968008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).