N,N-diphenyl-4-[4-[4-[4-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline

C69H49N5 — CID 59779612

IUPACN,N-diphenyl-4-[4-[4-[4-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)nc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)n2)cc1
InChIInChI=1S/C69H49N5/c1-6-16-58(17-7-1)67-70-68(59-38-34-54(35-39-59)50-26-30-52(31-27-50)56-42-46-65(47-43-56)73(61-18-8-2-9-19-61)62-20-10-3-11-21-62)72-69(71-67)60-40-36-55(37-41-60)51-28-32-53(33-29-51)57-44-48-66(49-45-57)74(63-22-12-4-13-23-63)64-24-14-5-15-25-64/h1-49H
InChIKeyDZZDAJRDLGIHHN-UHFFFAOYSA-N
MW948.19 g/mol
LogP18.48
Rot. Bonds13

About N,N-diphenyl-4-[4-[4-[4-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline

N,N-diphenyl-4-[4-[4-[4-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline (PubChem CID 59779612) has the molecular formula C69H49N5 and a molecular weight of 948.19 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-[4-[4-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[4-[4-[4-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline
PubChem CID59779612
Molecular FormulaC69H49N5
Molecular Weight948.19 g/mol
Exact Mass947.40
IUPAC NameN,N-diphenyl-4-[4-[4-[4-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)nc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)n2)cc1
InChIInChI=1S/C69H49N5/c1-6-16-58(17-7-1)67-70-68(59-38-34-54(35-39-59)50-26-30-52(31-27-50)56-42-46-65(47-43-56)73(61-18-8-2-9-19-61)62-20-10-3-11-21-62)72-69(71-67)60-40-36-55(37-41-60)51-28-32-53(33-29-51)57-44-48-66(49-45-57)74(63-22-12-4-13-23-63)64-24-14-5-15-25-64/h1-49H
InChIKeyDZZDAJRDLGIHHN-UHFFFAOYSA-N
XLogP18.48
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500948.19
LogP ≤ 518.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-[4-[4-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[4-[4-[4-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline (CID 59779612) is N,N-diphenyl-4-[4-[4-[4-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[4-[4-[4-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[4-[4-[4-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)nc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)n2)cc1.
What is the InChIKey of N,N-diphenyl-4-[4-[4-[4-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline?
The InChIKey is DZZDAJRDLGIHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H49N5/c1-6-16-58(17-7-1)67-70-68(59-38-34-54(35-39-59)50-26-30-52(31-27-50)56-42-46-65(47-43-56)73(61-18-8-2-9-19-61)62-20-10-3-11-21-62)72-69(71-67)60-40-36-55(37-41-60)51-28-32-53(33-29-51)57-44-48-66(49-45-57)74(63-22-12-4-13-23-63)64-24-14-5-15-25-64/h1-49H.
What are the key properties of N,N-diphenyl-4-[4-[4-[4-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline?
N,N-diphenyl-4-[4-[4-[4-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline has a molecular weight of 948.19 g/mol, XLogP of 18.48, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[4-[4-[4-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]aniline is sourced from PubChem (CID 59779612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).