3-(5-tert-butylpyrimidin-2-yl)-N,N-diphenylaniline

C26H25N3 — CID 140591619

IUPAC3-(5-tert-butylpyrimidin-2-yl)-N,N-diphenylaniline
SMILESCC(C)(C)c1cnc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)nc1
InChIInChI=1S/C26H25N3/c1-26(2,3)21-18-27-25(28-19-21)20-11-10-16-24(17-20)29(22-12-6-4-7-13-22)23-14-8-5-9-15-23/h4-19H,1-3H3
InChIKeyLWCZTMOBTQDLNQ-UHFFFAOYSA-N
MW379.51 g/mol
LogP6.91
Rot. Bonds4

About 3-(5-tert-butylpyrimidin-2-yl)-N,N-diphenylaniline

3-(5-tert-butylpyrimidin-2-yl)-N,N-diphenylaniline (PubChem CID 140591619) has the molecular formula C26H25N3 and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-(5-tert-butylpyrimidin-2-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name3-(5-tert-butylpyrimidin-2-yl)-N,N-diphenylaniline
PubChem CID140591619
Molecular FormulaC26H25N3
Molecular Weight379.51 g/mol
Exact Mass379.20
IUPAC Name3-(5-tert-butylpyrimidin-2-yl)-N,N-diphenylaniline
SMILESCC(C)(C)c1cnc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)nc1
InChIInChI=1S/C26H25N3/c1-26(2,3)21-18-27-25(28-19-21)20-11-10-16-24(17-20)29(22-12-6-4-7-13-22)23-14-8-5-9-15-23/h4-19H,1-3H3
InChIKeyLWCZTMOBTQDLNQ-UHFFFAOYSA-N
XLogP6.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-3-pyrimidin-2-yl-N-(3-pyrimidin-2-ylphenyl)aniline
CID 157447989
4-[3-[5-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]pyrimidin-2-yl]phenyl]-N,N-bis(4-tert-butylphenyl)aniline
CID 155784369
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
3-tert-butyl-N-(4-methylphenyl)-N-(4-phenylphenyl)aniline
CID 176854873
N-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076
N,N-diphenyl-3-[3-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;ethane
CID 159114076
N,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline
CID 122463724
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
3-N,3-N,6-N,6-N-tetraphenyl-9-(2-phenylpyrimidin-5-yl)carbazole-3,6-diamine
CID 135252762

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butylpyrimidin-2-yl)-N,N-diphenylaniline?
The IUPAC name of 3-(5-tert-butylpyrimidin-2-yl)-N,N-diphenylaniline (CID 140591619) is 3-(5-tert-butylpyrimidin-2-yl)-N,N-diphenylaniline.
What is the SMILES notation for 3-(5-tert-butylpyrimidin-2-yl)-N,N-diphenylaniline?
The canonical SMILES for 3-(5-tert-butylpyrimidin-2-yl)-N,N-diphenylaniline is CC(C)(C)c1cnc(-c2cccc(N(c3ccccc3)c3ccccc3)c2)nc1.
What is the InChIKey of 3-(5-tert-butylpyrimidin-2-yl)-N,N-diphenylaniline?
The InChIKey is LWCZTMOBTQDLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3/c1-26(2,3)21-18-27-25(28-19-21)20-11-10-16-24(17-20)29(22-12-6-4-7-13-22)23-14-8-5-9-15-23/h4-19H,1-3H3.
What are the key properties of 3-(5-tert-butylpyrimidin-2-yl)-N,N-diphenylaniline?
3-(5-tert-butylpyrimidin-2-yl)-N,N-diphenylaniline has a molecular weight of 379.51 g/mol, XLogP of 6.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butylpyrimidin-2-yl)-N,N-diphenylaniline is sourced from PubChem (CID 140591619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).