2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine

C48H33N3 — CID 146334619

IUPAC2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2(c3cccc(C4=NC(c5ccc6ccccc6c5)N=C(c5ccc6ccccc6c5)N4)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C48H33N3/c1-2-18-39(19-3-1)48(43-23-10-8-21-41(43)42-22-9-11-24-44(42)48)40-20-12-17-36(31-40)45-49-46(37-27-25-32-13-4-6-15-34(32)29-37)51-47(50-45)38-28-26-33-14-5-7-16-35(33)30-38/h1-31,46H,(H,49,50,51)
InChIKeyDJZZGNKTENVZTB-UHFFFAOYSA-N
MW651.81 g/mol
LogP10.85
Rot. Bonds5

About 2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine

2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine (PubChem CID 146334619) has the molecular formula C48H33N3 and a molecular weight of 651.81 g/mol. Its IUPAC name is 2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine
PubChem CID146334619
Molecular FormulaC48H33N3
Molecular Weight651.81 g/mol
Exact Mass651.27
IUPAC Name2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2(c3cccc(C4=NC(c5ccc6ccccc6c5)N=C(c5ccc6ccccc6c5)N4)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C48H33N3/c1-2-18-39(19-3-1)48(43-23-10-8-21-41(43)42-22-9-11-24-44(42)48)40-20-12-17-36(31-40)45-49-46(37-27-25-32-13-4-6-15-34(32)29-37)51-47(50-45)38-28-26-33-14-5-7-16-35(33)30-38/h1-31,46H,(H,49,50,51)
InChIKeyDJZZGNKTENVZTB-UHFFFAOYSA-N
XLogP10.85
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 510.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 139400710
2-naphthalen-2-yl-6-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-2-yl-1,4-dihydro-1,3,5-triazine
CID 146321910
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine
CID 174294989
2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 170412039
2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 152940475
2-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)-4-phenanthren-2-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 138574405
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
2-chloro-4,6-dinaphthalen-2-yl-1,4-dihydro-1,3,5-triazine
CID 129090176
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170179928
4-[9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]-N,N-diphenylaniline
CID 66598834
2-(9,9-diphenylfluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149082665
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 142504632

Frequently Asked Questions

What is the IUPAC name of 2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine (CID 146334619) is 2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine is c1ccc(C2(c3cccc(C4=NC(c5ccc6ccccc6c5)N=C(c5ccc6ccccc6c5)N4)c3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine?
The InChIKey is DJZZGNKTENVZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3/c1-2-18-39(19-3-1)48(43-23-10-8-21-41(43)42-22-9-11-24-44(42)48)40-20-12-17-36(31-40)45-49-46(37-27-25-32-13-4-6-15-34(32)29-37)51-47(50-45)38-28-26-33-14-5-7-16-35(33)30-38/h1-31,46H,(H,49,50,51).
What are the key properties of 2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine?
2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine has a molecular weight of 651.81 g/mol, XLogP of 10.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 146334619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).