4-[9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]-N,N-diphenylaniline

C60H40N4 — CID 66598834

IUPAC4-[9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(C3(c4cccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C60H40N4/c1-3-22-50(23-4-1)64(51-24-5-2-6-25-51)52-36-34-48(35-37-52)60(55-28-13-11-26-53(55)54-27-12-14-29-56(54)60)49-21-15-20-45(40-49)57-61-58(46-32-30-41-16-7-9-18-43(41)38-46)63-59(62-57)47-33-31-42-17-8-10-19-44(42)39-47/h1-40H
InChIKeyPLBXZYIWYRAZGA-UHFFFAOYSA-N
MW817.01 g/mol
LogP15.01
Rot. Bonds8

About 4-[9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]-N,N-diphenylaniline

4-[9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]-N,N-diphenylaniline (PubChem CID 66598834) has the molecular formula C60H40N4 and a molecular weight of 817.01 g/mol. Its IUPAC name is 4-[9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]-N,N-diphenylaniline
PubChem CID66598834
Molecular FormulaC60H40N4
Molecular Weight817.01 g/mol
Exact Mass816.33
IUPAC Name4-[9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(C3(c4cccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c4)c4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C60H40N4/c1-3-22-50(23-4-1)64(51-24-5-2-6-25-51)52-36-34-48(35-37-52)60(55-28-13-11-26-53(55)54-27-12-14-29-56(54)60)49-21-15-20-45(40-49)57-61-58(46-32-30-41-16-7-9-18-43(41)38-46)63-59(62-57)47-33-31-42-17-8-10-19-44(42)39-47/h1-40H
InChIKeyPLBXZYIWYRAZGA-UHFFFAOYSA-N
XLogP15.01
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.01
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 59601247
N-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 162071525
4-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]-N,N-diphenylaniline;4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylfluoren-9-yl]-N,N-diphenylaniline;N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161181165
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-[3-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 166566284
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566152
N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine
CID 166565630
2-(9,9-diphenylfluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149082665
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166566308
N-phenyl-3-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)aniline
CID 59601209
2-naphthalen-2-yl-4-(9-naphthalen-2-ylfluoren-9-yl)-6-phenyl-1,3,5-triazine
CID 164821212
2-[3-(2-naphthalen-2-yl-9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 137413712
N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 146540100

Frequently Asked Questions

What is the IUPAC name of 4-[9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]-N,N-diphenylaniline (CID 66598834) is 4-[9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(C3(c4cccc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c4)c4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 4-[9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]-N,N-diphenylaniline?
The InChIKey is PLBXZYIWYRAZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4/c1-3-22-50(23-4-1)64(51-24-5-2-6-25-51)52-36-34-48(35-37-52)60(55-28-13-11-26-53(55)54-27-12-14-29-56(54)60)49-21-15-20-45(40-49)57-61-58(46-32-30-41-16-7-9-18-43(41)38-46)63-59(62-57)47-33-31-42-17-8-10-19-44(42)39-47/h1-40H.
What are the key properties of 4-[9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]-N,N-diphenylaniline?
4-[9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]-N,N-diphenylaniline has a molecular weight of 817.01 g/mol, XLogP of 15.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]-N,N-diphenylaniline is sourced from PubChem (CID 66598834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).