5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol

C34H40N6O2 — CID 137081566

IUPAC5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol
SMILESCCN(CC)c1ccc(/N=N/c2ccc(-c3ccc(/N=N/c4ccc(N(CC)CC)cc4O)c(C)c3)cc2C)c(O)c1
InChIInChI=1S/C34H40N6O2/c1-7-39(8-2)27-13-17-31(33(41)21-27)37-35-29-15-11-25(19-23(29)5)26-12-16-30(24(6)20-26)36-38-32-18-14-28(22-34(32)42)40(9-3)10-4/h11-22,41-42H,7-10H2,1-6H3/b37-35+,38-36+
InChIKeyXQZXTQSILIYDJG-ATXIYDNESA-N
MW564.73 g/mol
LogP9.90
Rot. Bonds11

About 5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol

5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol (PubChem CID 137081566) has the molecular formula C34H40N6O2 and a molecular weight of 564.73 g/mol. Its IUPAC name is 5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol
PubChem CID137081566
Molecular FormulaC34H40N6O2
Molecular Weight564.73 g/mol
Exact Mass564.32
IUPAC Name5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol
SMILESCCN(CC)c1ccc(/N=N/c2ccc(-c3ccc(/N=N/c4ccc(N(CC)CC)cc4O)c(C)c3)cc2C)c(O)c1
InChIInChI=1S/C34H40N6O2/c1-7-39(8-2)27-13-17-31(33(41)21-27)37-35-29-15-11-25(19-23(29)5)26-12-16-30(24(6)20-26)36-38-32-18-14-28(22-34(32)42)40(9-3)10-4/h11-22,41-42H,7-10H2,1-6H3/b37-35+,38-36+
InChIKeyXQZXTQSILIYDJG-ATXIYDNESA-N
XLogP9.90
TPSA96.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 59.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

bis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium
CID 171731418
5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol
CID 135608350
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)diazenyl]-5-(diethylamino)phenol
CID 135829617
2-[(3-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol
CID 136611798
[4-(diethylamino)-2-methylphenyl]iminoazanium
CID 4185821
4-[[4-[4-[(4-hydroxy-3-methylphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-methylphenol
CID 136913309
4-[[4-[[bis(4-methylphenyl)hydrazinylidene]methyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline
CID 118655354
2-[(5-chloro-2-pyridinyl)diazenyl]-5-(diethylamino)phenol;2-[(5-chloro-2-pyridinyl)diazenyl]-5-(diethylamino)phenolate;cobalt;hydrochloride
CID 170845642
5-(diethylamino)-2-(hydroxymethyl)phenol
CID 55255374
sodium;2-[(5-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol;tetraphenylboranuide
CID 174763131
2-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-1,3-benzothiazole-6-carboxylic acid
CID 136797804
5-(dipropylamino)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)diazenyl]phenol
CID 136648509

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol (CID 137081566) is 5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol is CCN(CC)c1ccc(/N=N/c2ccc(-c3ccc(/N=N/c4ccc(N(CC)CC)cc4O)c(C)c3)cc2C)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol?
The InChIKey is XQZXTQSILIYDJG-ATXIYDNESA-N. The full InChI is InChI=1S/C34H40N6O2/c1-7-39(8-2)27-13-17-31(33(41)21-27)37-35-29-15-11-25(19-23(29)5)26-12-16-30(24(6)20-26)36-38-32-18-14-28(22-34(32)42)40(9-3)10-4/h11-22,41-42H,7-10H2,1-6H3/b37-35+,38-36+.
What are the key properties of 5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol?
5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol has a molecular weight of 564.73 g/mol, XLogP of 9.90, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol is sourced from PubChem (CID 137081566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).