4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]-N,N-diethylaniline;4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-N,N-diethylaniline

C69H74N14 — CID 161300188

IUPAC4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]-N,N-diethylaniline;4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-N,N-diethylaniline
SMILESCCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc(N(CC)CC)cc4)c4ccccc34)cc2)cc1.CCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc(N(CC)CC)cc4)cc3C)cc2)cc1
InChIInChI=1S/C36H37N7.C33H37N7/c1-4-7-10-27-13-15-28(16-14-27)37-38-29-17-19-30(20-18-29)39-41-35-25-26-36(34-12-9-8-11-33(34)35)42-40-31-21-23-32(24-22-31)43(5-2)6-3;1-5-8-9-26-10-12-27(13-11-26)34-35-28-14-16-29(17-15-28)37-39-33-23-20-31(24-25(33)4)38-36-30-18-21-32(22-19-30)40(6-2)7-3/h8-9,11-26H,4-7,10H2,1-3H3;10-24H,5-9H2,1-4H3/b38-37+,41-39+,42-40+;35-34+,38-36+,39-37+
InChIKeyVHMSPKPYWOUEAF-ZTRHIOPRSA-N
MW1099.45 g/mol
LogP23.70
Rot. Bonds24

About 4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]-N,N-diethylaniline;4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-N,N-diethylaniline

4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]-N,N-diethylaniline;4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-N,N-diethylaniline (PubChem CID 161300188) has the molecular formula C69H74N14 and a molecular weight of 1099.45 g/mol. Its IUPAC name is 4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]-N,N-diethylaniline;4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]-N,N-diethylaniline;4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-N,N-diethylaniline
PubChem CID161300188
Molecular FormulaC69H74N14
Molecular Weight1099.45 g/mol
Exact Mass1098.62
IUPAC Name4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]-N,N-diethylaniline;4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-N,N-diethylaniline
SMILESCCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc(N(CC)CC)cc4)c4ccccc34)cc2)cc1.CCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc(N(CC)CC)cc4)cc3C)cc2)cc1
InChIInChI=1S/C36H37N7.C33H37N7/c1-4-7-10-27-13-15-28(16-14-27)37-38-29-17-19-30(20-18-29)39-41-35-25-26-36(34-12-9-8-11-33(34)35)42-40-31-21-23-32(24-22-31)43(5-2)6-3;1-5-8-9-26-10-12-27(13-11-26)34-35-28-14-16-29(17-15-28)37-39-33-23-20-31(24-25(33)4)38-36-30-18-21-32(22-19-30)40(6-2)7-3/h8-9,11-26H,4-7,10H2,1-3H3;10-24H,5-9H2,1-4H3/b38-37+,41-39+,42-40+;35-34+,38-36+,39-37+
InChIKeyVHMSPKPYWOUEAF-ZTRHIOPRSA-N
XLogP23.70
TPSA154.80 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001099.45
LogP ≤ 523.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]-N,N-diethylaniline;4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-N,N-diethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]-N,N-diethylaniline;4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-N,N-diethylaniline?
The IUPAC name of 4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]-N,N-diethylaniline;4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-N,N-diethylaniline (CID 161300188) is 4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]-N,N-diethylaniline;4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]-N,N-diethylaniline;4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-N,N-diethylaniline?
The canonical SMILES for 4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]-N,N-diethylaniline;4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-N,N-diethylaniline is CCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc(N(CC)CC)cc4)c4ccccc34)cc2)cc1.CCCCc1ccc(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4ccc(N(CC)CC)cc4)cc3C)cc2)cc1.
What is the InChIKey of 4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]-N,N-diethylaniline;4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-N,N-diethylaniline?
The InChIKey is VHMSPKPYWOUEAF-ZTRHIOPRSA-N. The full InChI is InChI=1S/C36H37N7.C33H37N7/c1-4-7-10-27-13-15-28(16-14-27)37-38-29-17-19-30(20-18-29)39-41-35-25-26-36(34-12-9-8-11-33(34)35)42-40-31-21-23-32(24-22-31)43(5-2)6-3;1-5-8-9-26-10-12-27(13-11-26)34-35-28-14-16-29(17-15-28)37-39-33-23-20-31(24-25(33)4)38-36-30-18-21-32(22-19-30)40(6-2)7-3/h8-9,11-26H,4-7,10H2,1-3H3;10-24H,5-9H2,1-4H3/b38-37+,41-39+,42-40+;35-34+,38-36+,39-37+.
What are the key properties of 4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]-N,N-diethylaniline;4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-N,N-diethylaniline?
4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]-N,N-diethylaniline;4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-N,N-diethylaniline has a molecular weight of 1099.45 g/mol, XLogP of 23.70, 24 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]-N,N-diethylaniline;4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-N,N-diethylaniline is sourced from PubChem (CID 161300188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).