2-(diethylamino)ethanethiol;3-(N-[4-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenol;methane;3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-N-phenylaniline;hydrochloride

C93H88ClN5O4S — CID 159324719

About 2-(diethylamino)ethanethiol;3-(N-[4-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenol;methane;3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-N-phenylaniline;hydrochloride

2-(diethylamino)ethanethiol;3-(N-[4-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenol;methane;3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-N-phenylaniline;hydrochloride (PubChem CID 159324719) has the molecular formula C93H88ClN5O4S and a molecular weight of 1407.28 g/mol. Its IUPAC name is 2-(diethylamino)ethanethiol;3-(N-[4-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenol;methane;3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-N-phenylaniline;hydrochloride.

Molecular Properties

• Compound Name: 2-(diethylamino)ethanethiol;3-(N-[4-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenol;methane;3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-N-phenylaniline;hydrochloride
• PubChem CID: 159324719
• Molecular Formula: C93H88ClN5O4S
• Molecular Weight: 1407.28 g/mol
• Exact Mass: 1405.62
• IUPAC Name: 2-(diethylamino)ethanethiol;3-(N-[4-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenol;methane;3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-N-phenylaniline;hydrochloride
• SMILES: C.CCN(CC)CCS.COc1cccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc(OC)c5)cc4)cc3)cc2)c1.Cl.Oc1cccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc(O)c5)cc4)cc3)cc2)c1
• InChI: InChI=1S/C44H36N2O2.C42H32N2O2.C6H15NS.CH4.ClH/c1-47-43-17-9-15-41(31-43)45(37-11-5-3-6-12-37)39-27-23-35(24-28-39)33-19-21-34(22-20-33)36-25-29-40(30-26-36)46(38-13-7-4-8-14-38)42-16-10-18-44(32-42)48-2;45-41-15-7-13-39(29-41)43(35-9-3-1-4-10-35)37-25-21-33(22-26-37)31-17-19-32(20-18-31)34-23-27-38(28-24-34)44(36-11-5-2-6-12-36)40-14-8-16-42(46)30-40;1-3-7(4-2)5-6-8;;/h3-32H,1-2H3;1-30,45-46H;8H,3-6H2,1-2H3;1H4;1H
• InChIKey: AXYFOWGZLPZCLD-UHFFFAOYSA-N
• XLogP: 25.66
• TPSA: 75.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 22
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1407.28
LogP ≤ 5	25.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethanethiol;3-(N-[4-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenol;methane;3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-N-phenylaniline;hydrochloride?

The IUPAC name of 2-(diethylamino)ethanethiol;3-(N-[4-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenol;methane;3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-N-phenylaniline;hydrochloride (CID 159324719) is 2-(diethylamino)ethanethiol;3-(N-[4-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenol;methane;3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-N-phenylaniline;hydrochloride.

What is the SMILES notation for 2-(diethylamino)ethanethiol;3-(N-[4-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenol;methane;3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-N-phenylaniline;hydrochloride?

The canonical SMILES for 2-(diethylamino)ethanethiol;3-(N-[4-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenol;methane;3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-N-phenylaniline;hydrochloride is C.CCN(CC)CCS.COc1cccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc(OC)c5)cc4)cc3)cc2)c1.Cl.Oc1cccc(N(c2ccccc2)c2ccc(-c3ccc(-c4ccc(N(c5ccccc5)c5cccc(O)c5)cc4)cc3)cc2)c1.

What is the InChIKey of 2-(diethylamino)ethanethiol;3-(N-[4-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenol;methane;3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-N-phenylaniline;hydrochloride?

The InChIKey is AXYFOWGZLPZCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2O2.C42H32N2O2.C6H15NS.CH4.ClH/c1-47-43-17-9-15-41(31-43)45(37-11-5-3-6-12-37)39-27-23-35(24-28-39)33-19-21-34(22-20-33)36-25-29-40(30-26-36)46(38-13-7-4-8-14-38)42-16-10-18-44(32-42)48-2;45-41-15-7-13-39(29-41)43(35-9-3-1-4-10-35)37-25-21-33(22-26-37)31-17-19-32(20-18-31)34-23-27-38(28-24-34)44(36-11-5-2-6-12-36)40-14-8-16-42(46)30-40;1-3-7(4-2)5-6-8;;/h3-32H,1-2H3;1-30,45-46H;8H,3-6H2,1-2H3;1H4;1H.

What are the key properties of 2-(diethylamino)ethanethiol;3-(N-[4-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenol;methane;3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-N-phenylaniline;hydrochloride?

2-(diethylamino)ethanethiol;3-(N-[4-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenol;methane;3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-N-phenylaniline;hydrochloride has a molecular weight of 1407.28 g/mol, XLogP of 25.66, 22 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(diethylamino)ethanethiol;3-(N-[4-[4-[4-(N-(3-hydroxyphenyl)anilino)phenyl]phenyl]phenyl]anilino)phenol;methane;3-methoxy-N-[4-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-N-phenylaniline;hydrochloride is sourced from PubChem (CID 159324719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).