2-amino-6-[4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]anilino]phenol

C36H36N2O — CID 118185071

IUPAC2-amino-6-[4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]anilino]phenol
SMILESCC(C)(c1ccccc1)c1ccc(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2cccc(N)c2O)cc1
InChIInChI=1S/C36H36N2O/c1-35(2,26-12-7-5-8-13-26)28-18-22-30(23-19-28)38(33-17-11-16-32(37)34(33)39)31-24-20-29(21-25-31)36(3,4)27-14-9-6-10-15-27/h5-25,39H,37H2,1-4H3
InChIKeyAPUKPZVUCLYOOE-UHFFFAOYSA-N
MW512.70 g/mol
LogP9.10
Rot. Bonds7

About 2-amino-6-[4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]anilino]phenol

2-amino-6-[4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]anilino]phenol (PubChem CID 118185071) has the molecular formula C36H36N2O and a molecular weight of 512.70 g/mol. Its IUPAC name is 2-amino-6-[4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]anilino]phenol.

Molecular Properties

Compound Name2-amino-6-[4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]anilino]phenol
PubChem CID118185071
Molecular FormulaC36H36N2O
Molecular Weight512.70 g/mol
Exact Mass512.28
IUPAC Name2-amino-6-[4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]anilino]phenol
SMILESCC(C)(c1ccccc1)c1ccc(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2cccc(N)c2O)cc1
InChIInChI=1S/C36H36N2O/c1-35(2,26-12-7-5-8-13-26)28-18-22-30(23-19-28)38(33-17-11-16-32(37)34(33)39)31-24-20-29(21-25-31)36(3,4)27-14-9-6-10-15-27/h5-25,39H,37H2,1-4H3
InChIKeyAPUKPZVUCLYOOE-UHFFFAOYSA-N
XLogP9.10
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.70
LogP ≤ 59.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[2-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]propan-2-yl]phenyl]aniline
CID 158713141
CID 20700347
CID 20700347
2-phenylpropan-2-ylbenzene
CID 13065
9,18-bis[4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]anilino]hexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene-12,22-dione
CID 20679838
copper;tetrakis(4-(2-phenylpropan-2-yl)phenol)
CID 87921790
N,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline
CID 122463724
4-tert-butyl-N,N-diphenylaniline
CID 11312667
2-(N-(4-tert-butylphenyl)anilino)-1-hydroxyanthracene-9,10-dione
CID 3323542
6-N,6-N,25-N,25-N-tetrakis[4-(2-phenylpropan-2-yl)phenyl]-3,28-dioxaheptacyclo[15.11.0.02,14.04,13.07,12.018,27.019,24]octacosa-1(17),2(14),4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-6,25-diamine
CID 155359449
2-[2-[4-[2-(2-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline
CID 18997970
N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 143493158
4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
CID 23539942

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]anilino]phenol?
The IUPAC name of 2-amino-6-[4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]anilino]phenol (CID 118185071) is 2-amino-6-[4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]anilino]phenol.
What is the SMILES notation for 2-amino-6-[4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]anilino]phenol?
The canonical SMILES for 2-amino-6-[4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]anilino]phenol is CC(C)(c1ccccc1)c1ccc(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2cccc(N)c2O)cc1.
What is the InChIKey of 2-amino-6-[4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]anilino]phenol?
The InChIKey is APUKPZVUCLYOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N2O/c1-35(2,26-12-7-5-8-13-26)28-18-22-30(23-19-28)38(33-17-11-16-32(37)34(33)39)31-24-20-29(21-25-31)36(3,4)27-14-9-6-10-15-27/h5-25,39H,37H2,1-4H3.
What are the key properties of 2-amino-6-[4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]anilino]phenol?
2-amino-6-[4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]anilino]phenol has a molecular weight of 512.70 g/mol, XLogP of 9.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[4-(2-phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]anilino]phenol is sourced from PubChem (CID 118185071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).