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

C62H36N4 — CID 153466310

IUPAC2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESc1cncc(-c2ccc(-c3nc(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)nc(-c4ccc5ccccc5c4)n3)cc2)c1
InChIInChI=1S/C62H36N4/c1-2-11-40-32-41(26-23-37(40)10-1)61-64-60(39-24-21-38(22-25-39)42-12-9-31-63-36-42)65-62(66-61)45-34-43(46-27-29-56-50-15-5-3-13-48(50)54-19-7-17-52(46)58(54)56)33-44(35-45)47-28-30-57-51-16-6-4-14-49(51)55-20-8-18-53(47)59(55)57/h1-36H
InChIKeyLJHDQQMQBGOOQY-UHFFFAOYSA-N
MW837.00 g/mol
LogP16.02
Rot. Bonds6

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

2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 153466310) has the molecular formula C62H36N4 and a molecular weight of 837.00 g/mol. Its IUPAC name is 2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
PubChem CID153466310
Molecular FormulaC62H36N4
Molecular Weight837.00 g/mol
Exact Mass836.29
IUPAC Name2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESc1cncc(-c2ccc(-c3nc(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)nc(-c4ccc5ccccc5c4)n3)cc2)c1
InChIInChI=1S/C62H36N4/c1-2-11-40-32-41(26-23-37(40)10-1)61-64-60(39-24-21-38(22-25-39)42-12-9-31-63-36-42)65-62(66-61)45-34-43(46-27-29-56-50-15-5-3-13-48(50)54-19-7-17-52(46)58(54)56)33-44(35-45)47-28-30-57-51-16-6-4-14-49(51)55-20-8-18-53(47)59(55)57/h1-36H
InChIKeyLJHDQQMQBGOOQY-UHFFFAOYSA-N
XLogP16.02
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.00
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3,5-di(phenanthren-9-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466231
4-(4-fluoranthen-3-ylphenyl)-6-(4-phenylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130264975
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 146587202
2,4-dinaphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 122416192
5-[3-bromo-5-[4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 155195932
4-(4-fluoranthen-3-ylphenyl)-2-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130265025
4-[4-(4-fluoranthen-3-ylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130264228
4-fluoranthen-3-yl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130264413
4-(4-fluoranthen-3-ylphenyl)-2-(4-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130264454
2-anthracen-2-yl-4-[3,5-di(fluoranthen-3-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzofuran-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphtho[2,1-b][1]benzothiol-8-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 160765274
2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-1-yl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine
CID 153466253
2-[3,5-di(dibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130263357

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (CID 153466310) is 2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is c1cncc(-c2ccc(-c3nc(-c4cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc(-c5ccc6c7c(cccc57)-c5ccccc5-6)c4)nc(-c4ccc5ccccc5c4)n3)cc2)c1.
What is the InChIKey of 2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The InChIKey is LJHDQQMQBGOOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N4/c1-2-11-40-32-41(26-23-37(40)10-1)61-64-60(39-24-21-38(22-25-39)42-12-9-31-63-36-42)65-62(66-61)45-34-43(46-27-29-56-50-15-5-3-13-48(50)54-19-7-17-52(46)58(54)56)33-44(35-45)47-28-30-57-51-16-6-4-14-49(51)55-20-8-18-53(47)59(55)57/h1-36H.
What are the key properties of 2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine has a molecular weight of 837.00 g/mol, XLogP of 16.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(fluoranthen-3-yl)phenyl]-4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 153466310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).