4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-amine;[4-[[4-[[4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-yl]amino]phenyl]diazenyl]phenyl] 5-prop-2-enoyloxypentanoate;2-[[2-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-1,3-benzothiazol-6-yl]oxy]ethyl prop-2-enoate

C88H90N16O7S — CID 159985569

IUPAC4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-amine;[4-[[4-[[4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-yl]amino]phenyl]diazenyl]phenyl] 5-prop-2-enoyloxypentanoate;2-[[2-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-1,3-benzothiazol-6-yl]oxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCCCC(=O)Oc1ccc(/N=N/c2ccc(Nc3ccc(/N=N/c4ccc(N(CC)CC)cc4)c4ccccc34)cc2)cc1.C=CC(=O)OCCOc1ccc2nc(/N=N/c3ccc(/N=N/c4ccc(N(CC)CC)cc4)cc3)sc2c1.CCN(CC)c1ccc(/N=N/c2ccc(N)c3ccccc23)cc1
InChIInChI=1S/C40H40N6O4.C28H28N6O3S.C20H22N4/c1-4-39(47)49-28-10-9-13-40(48)50-34-24-20-32(21-25-34)43-42-30-16-14-29(15-17-30)41-37-26-27-38(36-12-8-7-11-35(36)37)45-44-31-18-22-33(23-19-31)46(5-2)6-3;1-4-27(35)37-18-17-36-24-15-16-25-26(19-24)38-28(29-25)33-32-21-9-7-20(8-10-21)30-31-22-11-13-23(14-12-22)34(5-2)6-3;1-3-24(4-2)16-11-9-15(10-12-16)22-23-20-14-13-19(21)17-7-5-6-8-18(17)20/h4,7-8,11-12,14-27,41H,1,5-6,9-10,13,28H2,2-3H3;4,7-16,19H,1,5-6,17-18H2,2-3H3;5-14H,3-4,21H2,1-2H3/b43-42+,45-44+;31-30+,33-32+;23-22+
InChIKeyOGHDQJQCPAVHCY-GPJNLLMESA-N
MW1515.86 g/mol
LogP24.83
Rot. Bonds33

About 4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-amine;[4-[[4-[[4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-yl]amino]phenyl]diazenyl]phenyl] 5-prop-2-enoyloxypentanoate;2-[[2-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-1,3-benzothiazol-6-yl]oxy]ethyl prop-2-enoate

4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-amine;[4-[[4-[[4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-yl]amino]phenyl]diazenyl]phenyl] 5-prop-2-enoyloxypentanoate;2-[[2-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-1,3-benzothiazol-6-yl]oxy]ethyl prop-2-enoate (PubChem CID 159985569) has the molecular formula C88H90N16O7S and a molecular weight of 1515.86 g/mol. Its IUPAC name is 4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-amine;[4-[[4-[[4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-yl]amino]phenyl]diazenyl]phenyl] 5-prop-2-enoyloxypentanoate;2-[[2-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-1,3-benzothiazol-6-yl]oxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-amine;[4-[[4-[[4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-yl]amino]phenyl]diazenyl]phenyl] 5-prop-2-enoyloxypentanoate;2-[[2-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-1,3-benzothiazol-6-yl]oxy]ethyl prop-2-enoate
PubChem CID159985569
Molecular FormulaC88H90N16O7S
Molecular Weight1515.86 g/mol
Exact Mass1514.69
IUPAC Name4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-amine;[4-[[4-[[4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-yl]amino]phenyl]diazenyl]phenyl] 5-prop-2-enoyloxypentanoate;2-[[2-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-1,3-benzothiazol-6-yl]oxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCCCC(=O)Oc1ccc(/N=N/c2ccc(Nc3ccc(/N=N/c4ccc(N(CC)CC)cc4)c4ccccc34)cc2)cc1.C=CC(=O)OCCOc1ccc2nc(/N=N/c3ccc(/N=N/c4ccc(N(CC)CC)cc4)cc3)sc2c1.CCN(CC)c1ccc(/N=N/c2ccc(N)c3ccccc23)cc1
InChIInChI=1S/C40H40N6O4.C28H28N6O3S.C20H22N4/c1-4-39(47)49-28-10-9-13-40(48)50-34-24-20-32(21-25-34)43-42-30-16-14-29(15-17-30)41-37-26-27-38(36-12-8-7-11-35(36)37)45-44-31-18-22-33(23-19-31)46(5-2)6-3;1-4-27(35)37-18-17-36-24-15-16-25-26(19-24)38-28(29-25)33-32-21-9-7-20(8-10-21)30-31-22-11-13-23(14-12-22)34(5-2)6-3;1-3-24(4-2)16-11-9-15(10-12-16)22-23-20-14-13-19(21)17-7-5-6-8-18(17)20/h4,7-8,11-12,14-27,41H,1,5-6,9-10,13,28H2,2-3H3;4,7-16,19H,1,5-6,17-18H2,2-3H3;5-14H,3-4,21H2,1-2H3/b43-42+,45-44+;31-30+,33-32+;23-22+
InChIKeyOGHDQJQCPAVHCY-GPJNLLMESA-N
XLogP24.83
TPSA272.39 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds33
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001515.86
LogP ≤ 524.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-amine;[4-[[4-[[4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-yl]amino]phenyl]diazenyl]phenyl] 5-prop-2-enoyloxypentanoate;2-[[2-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-1,3-benzothiazol-6-yl]oxy]ethyl prop-2-enoate with MolForge

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

Launch Full Analysis

Related Compounds

2-[[2-[[(3Z)-5-[[4-(diethylamino)phenyl]diazenyl]hexa-1,3,5-trien-2-yl]diazenyl]-1,3-benzothiazol-6-yl]oxy]ethyl prop-2-enoate
CID 145123664
[3-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[[4-[[4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl] 5-prop-2-enoyloxypentanoate;methane
CID 172923302
11-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenoxy]undecyl prop-2-enoate
CID 156628714
11-[4-[[2-[[4-[ethyl(propyl)amino]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenoxy]undecyl prop-2-enoate
CID 166512682
(4-aminophenyl) 5-methoxypentanoate;benzene-1,4-diamine;4-N,4-N-diethylbenzene-1,4-diamine;naphthalene-1,4-diamine;prop-2-enal
CID 142370674
9-[4-[[2-[[4-[ethyl(2-prop-2-enoyloxyethyl)amino]phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenoxy]nonyl 2-prop-2-enoyloxypropanoate
CID 156628712
9-[4-[(2-phenyldiazenylthieno[2,3-d][1,3]thiazol-5-yl)diazenyl]phenoxy]nonyl prop-2-enoate
CID 155447991
8-[N-(8-hydroxy-9-oxoundec-10-enyl)-4-[[3-methyl-4-[[4-[(4-prop-2-enoyloxyphenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]anilino]octyl prop-2-enoate
CID 89449535
[4-[[4-[[2-fluoro-4-[[4-[methyl(2-prop-2-enoyloxyethyl)amino]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl] heptanoate
CID 164843008
[2-[4-[[2-[[4-(diethylamino)phenyl]diazenyl]thieno[2,3-d][1,3]thiazol-5-yl]diazenyl]phenyl]ethoxy-dimethylsilyl]methyl prop-2-enoate
CID 170542680
[4-(6-bromohexoxy)phenyl]-(6-ethoxy-1,3-benzothiazol-2-yl)diazene
CID 102525993
[4-(10-bromodecoxy)phenyl]-(6-ethoxy-1,3-benzothiazol-2-yl)diazene
CID 102525998

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-amine;[4-[[4-[[4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-yl]amino]phenyl]diazenyl]phenyl] 5-prop-2-enoyloxypentanoate;2-[[2-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-1,3-benzothiazol-6-yl]oxy]ethyl prop-2-enoate?
The IUPAC name of 4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-amine;[4-[[4-[[4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-yl]amino]phenyl]diazenyl]phenyl] 5-prop-2-enoyloxypentanoate;2-[[2-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-1,3-benzothiazol-6-yl]oxy]ethyl prop-2-enoate (CID 159985569) is 4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-amine;[4-[[4-[[4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-yl]amino]phenyl]diazenyl]phenyl] 5-prop-2-enoyloxypentanoate;2-[[2-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-1,3-benzothiazol-6-yl]oxy]ethyl prop-2-enoate.
What is the SMILES notation for 4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-amine;[4-[[4-[[4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-yl]amino]phenyl]diazenyl]phenyl] 5-prop-2-enoyloxypentanoate;2-[[2-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-1,3-benzothiazol-6-yl]oxy]ethyl prop-2-enoate?
The canonical SMILES for 4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-amine;[4-[[4-[[4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-yl]amino]phenyl]diazenyl]phenyl] 5-prop-2-enoyloxypentanoate;2-[[2-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-1,3-benzothiazol-6-yl]oxy]ethyl prop-2-enoate is C=CC(=O)OCCCCC(=O)Oc1ccc(/N=N/c2ccc(Nc3ccc(/N=N/c4ccc(N(CC)CC)cc4)c4ccccc34)cc2)cc1.C=CC(=O)OCCOc1ccc2nc(/N=N/c3ccc(/N=N/c4ccc(N(CC)CC)cc4)cc3)sc2c1.CCN(CC)c1ccc(/N=N/c2ccc(N)c3ccccc23)cc1.
What is the InChIKey of 4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-amine;[4-[[4-[[4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-yl]amino]phenyl]diazenyl]phenyl] 5-prop-2-enoyloxypentanoate;2-[[2-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-1,3-benzothiazol-6-yl]oxy]ethyl prop-2-enoate?
The InChIKey is OGHDQJQCPAVHCY-GPJNLLMESA-N. The full InChI is InChI=1S/C40H40N6O4.C28H28N6O3S.C20H22N4/c1-4-39(47)49-28-10-9-13-40(48)50-34-24-20-32(21-25-34)43-42-30-16-14-29(15-17-30)41-37-26-27-38(36-12-8-7-11-35(36)37)45-44-31-18-22-33(23-19-31)46(5-2)6-3;1-4-27(35)37-18-17-36-24-15-16-25-26(19-24)38-28(29-25)33-32-21-9-7-20(8-10-21)30-31-22-11-13-23(14-12-22)34(5-2)6-3;1-3-24(4-2)16-11-9-15(10-12-16)22-23-20-14-13-19(21)17-7-5-6-8-18(17)20/h4,7-8,11-12,14-27,41H,1,5-6,9-10,13,28H2,2-3H3;4,7-16,19H,1,5-6,17-18H2,2-3H3;5-14H,3-4,21H2,1-2H3/b43-42+,45-44+;31-30+,33-32+;23-22+.
What are the key properties of 4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-amine;[4-[[4-[[4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-yl]amino]phenyl]diazenyl]phenyl] 5-prop-2-enoyloxypentanoate;2-[[2-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-1,3-benzothiazol-6-yl]oxy]ethyl prop-2-enoate?
4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-amine;[4-[[4-[[4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-yl]amino]phenyl]diazenyl]phenyl] 5-prop-2-enoyloxypentanoate;2-[[2-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-1,3-benzothiazol-6-yl]oxy]ethyl prop-2-enoate has a molecular weight of 1515.86 g/mol, XLogP of 24.83, 33 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-amine;[4-[[4-[[4-[[4-(diethylamino)phenyl]diazenyl]naphthalen-1-yl]amino]phenyl]diazenyl]phenyl] 5-prop-2-enoyloxypentanoate;2-[[2-[[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]diazenyl]-1,3-benzothiazol-6-yl]oxy]ethyl prop-2-enoate is sourced from PubChem (CID 159985569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).