N-methyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine;4-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrimidin-2-amine

C69H54N8 — CID 158755006

IUPACN-methyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine;4-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrimidin-2-amine
SMILESCN(c1ccc(-c2ccccc2)cc1)c1nccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)n1.Nc1nccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)n1
InChIInChI=1S/C41H32N4.C28H22N4/c1-44(36-25-21-33(22-26-36)31-11-5-2-6-12-31)41-42-30-29-40(43-41)35-19-17-32(18-20-35)34-23-27-39(28-24-34)45(37-13-7-3-8-14-37)38-15-9-4-10-16-38;29-28-30-20-19-27(31-28)23-13-11-21(12-14-23)22-15-17-26(18-16-22)32(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h2-30H,1H3;1-20H,(H2,29,30,31)
InChIKeyINYMUCSUSCOQAR-UHFFFAOYSA-N
MW995.25 g/mol
LogP17.58
Rot. Bonds13

About N-methyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine;4-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrimidin-2-amine

N-methyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine;4-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrimidin-2-amine (PubChem CID 158755006) has the molecular formula C69H54N8 and a molecular weight of 995.25 g/mol. Its IUPAC name is N-methyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine;4-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine;4-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrimidin-2-amine
PubChem CID158755006
Molecular FormulaC69H54N8
Molecular Weight995.25 g/mol
Exact Mass994.45
IUPAC NameN-methyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine;4-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrimidin-2-amine
SMILESCN(c1ccc(-c2ccccc2)cc1)c1nccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)n1.Nc1nccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)n1
InChIInChI=1S/C41H32N4.C28H22N4/c1-44(36-25-21-33(22-26-36)31-11-5-2-6-12-31)41-42-30-29-40(43-41)35-19-17-32(18-20-35)34-23-27-39(28-24-34)45(37-13-7-3-8-14-37)38-15-9-4-10-16-38;29-28-30-20-19-27(31-28)23-13-11-21(12-14-23)22-15-17-26(18-16-22)32(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h2-30H,1H3;1-20H,(H2,29,30,31)
InChIKeyINYMUCSUSCOQAR-UHFFFAOYSA-N
XLogP17.58
TPSA87.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.25
LogP ≤ 517.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine
CID 59235716
4-(6-methoxy-3-pyridinyl)-N-methyl-N-phenylpyrimidin-2-amine
CID 170970474
4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine
CID 59235722
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
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
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine;4-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine;4-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrimidin-2-amine (CID 158755006) is N-methyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine;4-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine;4-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine;4-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrimidin-2-amine is CN(c1ccc(-c2ccccc2)cc1)c1nccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)n1.Nc1nccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)n1.
What is the InChIKey of N-methyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine;4-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrimidin-2-amine?
The InChIKey is INYMUCSUSCOQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N4.C28H22N4/c1-44(36-25-21-33(22-26-36)31-11-5-2-6-12-31)41-42-30-29-40(43-41)35-19-17-32(18-20-35)34-23-27-39(28-24-34)45(37-13-7-3-8-14-37)38-15-9-4-10-16-38;29-28-30-20-19-27(31-28)23-13-11-21(12-14-23)22-15-17-26(18-16-22)32(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h2-30H,1H3;1-20H,(H2,29,30,31).
What are the key properties of N-methyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine;4-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrimidin-2-amine?
N-methyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine;4-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrimidin-2-amine has a molecular weight of 995.25 g/mol, XLogP of 17.58, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)pyrimidin-2-amine;4-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158755006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).