N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline

C70H50N4 — CID 59779628

IUPACN,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)n2)cc1
InChIInChI=1S/C70H50N4/c1-6-16-61(17-7-1)70-71-68(59-38-34-55(35-39-59)51-26-30-53(31-27-51)57-42-46-66(47-43-57)73(62-18-8-2-9-19-62)63-20-10-3-11-21-63)50-69(72-70)60-40-36-56(37-41-60)52-28-32-54(33-29-52)58-44-48-67(49-45-58)74(64-22-12-4-13-23-64)65-24-14-5-15-25-65/h1-50H
InChIKeyVDKKMCXOBDILNO-UHFFFAOYSA-N
MW947.20 g/mol
LogP19.09
Rot. Bonds13

About N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline

N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline (PubChem CID 59779628) has the molecular formula C70H50N4 and a molecular weight of 947.20 g/mol. Its IUPAC name is N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline
PubChem CID59779628
Molecular FormulaC70H50N4
Molecular Weight947.20 g/mol
Exact Mass946.40
IUPAC NameN,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)n2)cc1
InChIInChI=1S/C70H50N4/c1-6-16-61(17-7-1)70-71-68(59-38-34-55(35-39-59)51-26-30-53(31-27-51)57-42-46-66(47-43-57)73(62-18-8-2-9-19-62)63-20-10-3-11-21-63)50-69(72-70)60-40-36-56(37-41-60)52-28-32-54(33-29-52)58-44-48-67(49-45-58)74(64-22-12-4-13-23-64)65-24-14-5-15-25-65/h1-50H
InChIKeyVDKKMCXOBDILNO-UHFFFAOYSA-N
XLogP19.09
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.20
LogP ≤ 519.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-N-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 58028604
N-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028686
N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 58028667
N-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 58028600
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenylaniline
CID 130353169
2-phenyl-4,6-bis(4-phenylphenyl)pyrimidine
CID 58604250
N-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 58028726
2,4-diphenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine
CID 58943731
7-(2,6-diphenylpyrimidin-4-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095426
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline?
The IUPAC name of N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline (CID 59779628) is N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc(-c3ccc(-c4ccc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)n2)cc1.
What is the InChIKey of N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline?
The InChIKey is VDKKMCXOBDILNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50N4/c1-6-16-61(17-7-1)70-71-68(59-38-34-55(35-39-59)51-26-30-53(31-27-51)57-42-46-66(47-43-57)73(62-18-8-2-9-19-62)63-20-10-3-11-21-63)50-69(72-70)60-40-36-56(37-41-60)52-28-32-54(33-29-52)58-44-48-67(49-45-58)74(64-22-12-4-13-23-64)65-24-14-5-15-25-65/h1-50H.
What are the key properties of N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline?
N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline has a molecular weight of 947.20 g/mol, XLogP of 19.09, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[4-[4-[2-phenyl-6-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]aniline is sourced from PubChem (CID 59779628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).