2-(9,9-diphenylfluoren-3-yl)-4-(4-naphthalen-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine

C54H35N3 — CID 176588146

IUPAC2-(9,9-diphenylfluoren-3-yl)-4-(4-naphthalen-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3cc(-c4cccc5ccccc45)c4ccccc4c3)n2)cc1
InChIInChI=1S/C54H35N3/c1-4-18-37(19-5-1)51-55-52(57-53(56-51)40-33-38-20-11-13-27-44(38)47(35-40)45-29-16-21-36-17-10-12-26-43(36)45)39-31-32-50-48(34-39)46-28-14-15-30-49(46)54(50,41-22-6-2-7-23-41)42-24-8-3-9-25-42/h1-35H
InChIKeyHQKNGCOMDPUACG-UHFFFAOYSA-N
MW725.90 g/mol
LogP13.21
Rot. Bonds6

About 2-(9,9-diphenylfluoren-3-yl)-4-(4-naphthalen-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine

2-(9,9-diphenylfluoren-3-yl)-4-(4-naphthalen-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine (PubChem CID 176588146) has the molecular formula C54H35N3 and a molecular weight of 725.90 g/mol. Its IUPAC name is 2-(9,9-diphenylfluoren-3-yl)-4-(4-naphthalen-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-diphenylfluoren-3-yl)-4-(4-naphthalen-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
PubChem CID176588146
Molecular FormulaC54H35N3
Molecular Weight725.90 g/mol
Exact Mass725.28
IUPAC Name2-(9,9-diphenylfluoren-3-yl)-4-(4-naphthalen-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3cc(-c4cccc5ccccc45)c4ccccc4c3)n2)cc1
InChIInChI=1S/C54H35N3/c1-4-18-37(19-5-1)51-55-52(57-53(56-51)40-33-38-20-11-13-27-44(38)47(35-40)45-29-16-21-36-17-10-12-26-43(36)45)39-31-32-50-48(34-39)46-28-14-15-30-49(46)54(50,41-22-6-2-7-23-41)42-24-8-3-9-25-42/h1-35H
InChIKeyHQKNGCOMDPUACG-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

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Related Compounds

2-(9,9-diphenylfluoren-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 122416353
2-(9,9-diphenylfluoren-3-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 162196090
2-(11,11-diphenylbenzo[b]fluoren-3-yl)-4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164829465
2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157208810
2-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 162487362
2-(9,9-diphenylfluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149082665
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2,10,10-triphenylindeno[1,2-g]quinoline
CID 146595082
2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450656
2-[3-(9,9-diphenylfluoren-2-yl)-5-naphthalen-1-ylphenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 171592300
2-(11,11-diphenylbenzo[b]fluoren-8-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 155465716
4-[4-(9,9-diphenylfluoren-3-yl)naphthalen-1-yl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 168777375
2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155465377

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-diphenylfluoren-3-yl)-4-(4-naphthalen-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(9,9-diphenylfluoren-3-yl)-4-(4-naphthalen-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine (CID 176588146) is 2-(9,9-diphenylfluoren-3-yl)-4-(4-naphthalen-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-diphenylfluoren-3-yl)-4-(4-naphthalen-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-diphenylfluoren-3-yl)-4-(4-naphthalen-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-c3cc(-c4cccc5ccccc45)c4ccccc4c3)n2)cc1.
What is the InChIKey of 2-(9,9-diphenylfluoren-3-yl)-4-(4-naphthalen-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is HQKNGCOMDPUACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3/c1-4-18-37(19-5-1)51-55-52(57-53(56-51)40-33-38-20-11-13-27-44(38)47(35-40)45-29-16-21-36-17-10-12-26-43(36)45)39-31-32-50-48(34-39)46-28-14-15-30-49(46)54(50,41-22-6-2-7-23-41)42-24-8-3-9-25-42/h1-35H.
What are the key properties of 2-(9,9-diphenylfluoren-3-yl)-4-(4-naphthalen-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine?
2-(9,9-diphenylfluoren-3-yl)-4-(4-naphthalen-1-ylnaphthalen-2-yl)-6-phenyl-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-(9,9-diphenylfluoren-3-yl)-4-(4-naphthalen-1-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 176588146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).