2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine

C54H35N3 — CID 155465843

IUPAC2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5c(c4c3)C(c3ccccc3)(c3ccccc3)c3ccc(-c4cccc6ccccc46)cc3-5)n2)cc1
InChIInChI=1S/C54H35N3/c1-5-17-38(18-6-1)51-55-52(39-19-7-2-8-20-39)57-53(56-51)41-29-28-37-30-32-46-48-34-40(45-27-15-21-36-16-13-14-26-44(36)45)31-33-49(48)54(50(46)47(37)35-41,42-22-9-3-10-23-42)43-24-11-4-12-25-43/h1-35H
InChIKeyHLUQXIRTUQTHAJ-UHFFFAOYSA-N
MW725.90 g/mol
LogP13.21
Rot. Bonds6

About 2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine

2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 155465843) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID155465843
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5c(c4c3)C(c3ccccc3)(c3ccccc3)c3ccc(-c4cccc6ccccc46)cc3-5)n2)cc1
InChIInChI=1S/C54H35N3/c1-5-17-38(18-6-1)51-55-52(39-19-7-2-8-20-39)57-53(56-51)41-29-28-37-30-32-46-48-34-40(45-27-15-21-36-16-13-14-26-44(36)45)31-33-49(48)54(50(46)47(37)35-41,42-22-9-3-10-23-42)43-24-11-4-12-25-43/h1-35H
InChIKeyHLUQXIRTUQTHAJ-UHFFFAOYSA-N
XLogP13.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.90
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-[3-[2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-11,11-diphenylbenzo[a]fluoren-8-yl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine
CID 155465388
2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465659
2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 160936600
2-[4-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-1-yl]phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 155465924
2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465377
2-[2-[3-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(11,11-diphenylbenzo[a]fluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160720509
2-(9,9-diphenylfluoren-3-yl)-4-(4-naphthalen-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 176588146
2-(11,11-diphenylbenzo[b]fluoren-3-yl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164829465
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777375
2-(9,9-diphenyl-6-pyren-1-ylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166751845
2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine
CID 155465689
2-(11,11-diphenylbenzo[a]fluoren-2-yl)-4-phenanthren-9-yl-6-phenylpyrimidine
CID 155465811

Frequently Asked Questions

What is the IUPAC name of 2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine (CID 155465843) is 2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4ccc5c(c4c3)C(c3ccccc3)(c3ccccc3)c3ccc(-c4cccc6ccccc46)cc3-5)n2)cc1.
What is the InChIKey of 2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is HLUQXIRTUQTHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-5-17-38(18-6-1)51-55-52(39-19-7-2-8-20-39)57-53(56-51)41-29-28-37-30-32-46-48-34-40(45-27-15-21-36-16-13-14-26-44(36)45)31-33-49(48)54(50(46)47(37)35-41,42-22-9-3-10-23-42)43-24-11-4-12-25-43/h1-35H.
What are the key properties of 2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine?
2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 725.90 g/mol, XLogP of 13.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-2-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 155465843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).