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

C58H40N4 — CID 66598616

IUPAC4-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c5ccccc5-c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C58H40N4/c1-5-17-43(18-6-1)55-59-56(44-19-7-2-8-20-44)61-57(60-55)45-31-37-47(38-32-45)58(53-27-15-13-25-51(53)52-26-14-16-28-54(52)58)46-35-29-41(30-36-46)42-33-39-50(40-34-42)62(48-21-9-3-10-22-48)49-23-11-4-12-24-49/h1-40H
InChIKeyNAICCCBSRFULBJ-UHFFFAOYSA-N
MW792.99 g/mol
LogP14.37
Rot. Bonds9

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

4-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline (PubChem CID 66598616) has the molecular formula C58H40N4 and a molecular weight of 792.99 g/mol. Its IUPAC name is 4-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline
PubChem CID66598616
Molecular FormulaC58H40N4
Molecular Weight792.99 g/mol
Exact Mass792.33
IUPAC Name4-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c5ccccc5-c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C58H40N4/c1-5-17-43(18-6-1)55-59-56(44-19-7-2-8-20-44)61-57(60-55)45-31-37-47(38-32-45)58(53-27-15-13-25-51(53)52-26-14-16-28-54(52)58)46-35-29-41(30-36-46)42-33-39-50(40-34-42)62(48-21-9-3-10-22-48)49-23-11-4-12-24-49/h1-40H
InChIKeyNAICCCBSRFULBJ-UHFFFAOYSA-N
XLogP14.37
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.99
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline (CID 66598616) is 4-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c5ccccc5-c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 4-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline?
The InChIKey is NAICCCBSRFULBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40N4/c1-5-17-43(18-6-1)55-59-56(44-19-7-2-8-20-44)61-57(60-55)45-31-37-47(38-32-45)58(53-27-15-13-25-51(53)52-26-14-16-28-54(52)58)46-35-29-41(30-36-46)42-33-39-50(40-34-42)62(48-21-9-3-10-22-48)49-23-11-4-12-24-49/h1-40H.
What are the key properties of 4-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline?
4-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline has a molecular weight of 792.99 g/mol, XLogP of 14.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 66598616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).