N-(4-butan-2-ylphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(4-hexyl-5-methylthiophen-2-yl)-N-[4-(4-hexyl-5-methylthiophen-2-yl)phenyl]-N-phenylaniline;N-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-phenylaniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline

C190H179F3N6OS12 — CID 159506969

IUPACN-(4-butan-2-ylphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(4-hexyl-5-methylthiophen-2-yl)-N-[4-(4-hexyl-5-methylthiophen-2-yl)phenyl]-N-phenylaniline;N-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-phenylaniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCCC(C)c1ccc(N(c2ccc(-c3ccc(C)s3)cc2)c2ccc(-c3ccc(C)s3)cc2)cc1.CCCCCCc1cc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(CCCCCC)c(C)s4)cc3)cc2)sc1C.CCCCc1ccc(N(c2ccc(-c3ccc(C)s3)cc2)c2ccc(-c3ccc(C)s3)cc2)cc1.COc1ccc(N(c2ccc(-c3ccc(C)s3)cc2)c2ccc(-c3ccc(C)s3)cc2)cc1.Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C)s4)cc3)c3ccc(C(F)(F)F)cc3)cc2)s1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(C)s4)cc3)cc2)s1
InChIInChI=1S/C40H47NS2.2C32H31NS2.C29H22F3NS2.C29H25NOS2.C28H23NS2/c1-5-7-9-12-16-34-28-39(42-30(34)3)32-20-24-37(25-21-32)41(36-18-14-11-15-19-36)38-26-22-33(23-27-38)40-29-35(31(4)43-40)17-13-10-8-6-2;1-5-22(2)25-8-14-28(15-9-25)33(29-16-10-26(11-17-29)31-20-6-23(3)34-31)30-18-12-27(13-19-30)32-21-7-24(4)35-32;1-4-5-6-25-9-15-28(16-10-25)33(29-17-11-26(12-18-29)31-21-7-23(2)34-31)30-19-13-27(14-20-30)32-22-8-24(3)35-32;1-19-3-17-27(34-19)21-5-11-24(12-6-21)33(26-15-9-23(10-16-26)29(30,31)32)25-13-7-22(8-14-25)28-18-4-20(2)35-28;1-20-4-18-28(32-20)22-6-10-24(11-7-22)30(26-14-16-27(31-3)17-15-26)25-12-8-23(9-13-25)29-19-5-21(2)33-29;1-20-8-18-27(30-20)22-10-14-25(15-11-22)29(24-6-4-3-5-7-24)26-16-12-23(13-17-26)28-19-9-21(2)31-28/h11,14-15,18-29H,5-10,12-13,16-17H2,1-4H3;6-22H,5H2,1-4H3;7-22H,4-6H2,1-3H3;3-18H,1-2H3;4-19H,1-3H3;3-19H,1-2H3
InChIKeyMACPTBZKLOODSS-UHFFFAOYSA-N
MW3004.36 g/mol
LogP63.51
Rot. Bonds46

About N-(4-butan-2-ylphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(4-hexyl-5-methylthiophen-2-yl)-N-[4-(4-hexyl-5-methylthiophen-2-yl)phenyl]-N-phenylaniline;N-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-phenylaniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline

N-(4-butan-2-ylphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(4-hexyl-5-methylthiophen-2-yl)-N-[4-(4-hexyl-5-methylthiophen-2-yl)phenyl]-N-phenylaniline;N-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-phenylaniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 159506969) has the molecular formula C190H179F3N6OS12 and a molecular weight of 3004.36 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(4-hexyl-5-methylthiophen-2-yl)-N-[4-(4-hexyl-5-methylthiophen-2-yl)phenyl]-N-phenylaniline;N-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-phenylaniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(4-hexyl-5-methylthiophen-2-yl)-N-[4-(4-hexyl-5-methylthiophen-2-yl)phenyl]-N-phenylaniline;N-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-phenylaniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID159506969
Molecular FormulaC190H179F3N6OS12
Molecular Weight3004.36 g/mol
Exact Mass3001.07
IUPAC NameN-(4-butan-2-ylphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(4-hexyl-5-methylthiophen-2-yl)-N-[4-(4-hexyl-5-methylthiophen-2-yl)phenyl]-N-phenylaniline;N-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-phenylaniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCCC(C)c1ccc(N(c2ccc(-c3ccc(C)s3)cc2)c2ccc(-c3ccc(C)s3)cc2)cc1.CCCCCCc1cc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(CCCCCC)c(C)s4)cc3)cc2)sc1C.CCCCc1ccc(N(c2ccc(-c3ccc(C)s3)cc2)c2ccc(-c3ccc(C)s3)cc2)cc1.COc1ccc(N(c2ccc(-c3ccc(C)s3)cc2)c2ccc(-c3ccc(C)s3)cc2)cc1.Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C)s4)cc3)c3ccc(C(F)(F)F)cc3)cc2)s1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(C)s4)cc3)cc2)s1
InChIInChI=1S/C40H47NS2.2C32H31NS2.C29H22F3NS2.C29H25NOS2.C28H23NS2/c1-5-7-9-12-16-34-28-39(42-30(34)3)32-20-24-37(25-21-32)41(36-18-14-11-15-19-36)38-26-22-33(23-27-38)40-29-35(31(4)43-40)17-13-10-8-6-2;1-5-22(2)25-8-14-28(15-9-25)33(29-16-10-26(11-17-29)31-20-6-23(3)34-31)30-18-12-27(13-19-30)32-21-7-24(4)35-32;1-4-5-6-25-9-15-28(16-10-25)33(29-17-11-26(12-18-29)31-21-7-23(2)34-31)30-19-13-27(14-20-30)32-22-8-24(3)35-32;1-19-3-17-27(34-19)21-5-11-24(12-6-21)33(26-15-9-23(10-16-26)29(30,31)32)25-13-7-22(8-14-25)28-18-4-20(2)35-28;1-20-4-18-28(32-20)22-6-10-24(11-7-22)30(26-14-16-27(31-3)17-15-26)25-12-8-23(9-13-25)29-19-5-21(2)33-29;1-20-8-18-27(30-20)22-10-14-25(15-11-22)29(24-6-4-3-5-7-24)26-16-12-23(13-17-26)28-19-9-21(2)31-28/h11,14-15,18-29H,5-10,12-13,16-17H2,1-4H3;6-22H,5H2,1-4H3;7-22H,4-6H2,1-3H3;3-18H,1-2H3;4-19H,1-3H3;3-19H,1-2H3
InChIKeyMACPTBZKLOODSS-UHFFFAOYSA-N
XLogP63.51
TPSA28.67 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds46
Heavy Atoms212
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003004.36
LogP ≤ 563.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze N-(4-butan-2-ylphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(4-hexyl-5-methylthiophen-2-yl)-N-[4-(4-hexyl-5-methylthiophen-2-yl)phenyl]-N-phenylaniline;N-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-phenylaniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(4-hexyl-5-methylthiophen-2-yl)-N-[4-(4-hexyl-5-methylthiophen-2-yl)phenyl]-N-phenylaniline;N-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-phenylaniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of N-(4-butan-2-ylphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(4-hexyl-5-methylthiophen-2-yl)-N-[4-(4-hexyl-5-methylthiophen-2-yl)phenyl]-N-phenylaniline;N-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-phenylaniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline (CID 159506969) is N-(4-butan-2-ylphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(4-hexyl-5-methylthiophen-2-yl)-N-[4-(4-hexyl-5-methylthiophen-2-yl)phenyl]-N-phenylaniline;N-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-phenylaniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(4-hexyl-5-methylthiophen-2-yl)-N-[4-(4-hexyl-5-methylthiophen-2-yl)phenyl]-N-phenylaniline;N-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-phenylaniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for N-(4-butan-2-ylphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(4-hexyl-5-methylthiophen-2-yl)-N-[4-(4-hexyl-5-methylthiophen-2-yl)phenyl]-N-phenylaniline;N-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-phenylaniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline is CCC(C)c1ccc(N(c2ccc(-c3ccc(C)s3)cc2)c2ccc(-c3ccc(C)s3)cc2)cc1.CCCCCCc1cc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(CCCCCC)c(C)s4)cc3)cc2)sc1C.CCCCc1ccc(N(c2ccc(-c3ccc(C)s3)cc2)c2ccc(-c3ccc(C)s3)cc2)cc1.COc1ccc(N(c2ccc(-c3ccc(C)s3)cc2)c2ccc(-c3ccc(C)s3)cc2)cc1.Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(C)s4)cc3)c3ccc(C(F)(F)F)cc3)cc2)s1.Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(C)s4)cc3)cc2)s1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(4-hexyl-5-methylthiophen-2-yl)-N-[4-(4-hexyl-5-methylthiophen-2-yl)phenyl]-N-phenylaniline;N-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-phenylaniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is MACPTBZKLOODSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H47NS2.2C32H31NS2.C29H22F3NS2.C29H25NOS2.C28H23NS2/c1-5-7-9-12-16-34-28-39(42-30(34)3)32-20-24-37(25-21-32)41(36-18-14-11-15-19-36)38-26-22-33(23-27-38)40-29-35(31(4)43-40)17-13-10-8-6-2;1-5-22(2)25-8-14-28(15-9-25)33(29-16-10-26(11-17-29)31-20-6-23(3)34-31)30-18-12-27(13-19-30)32-21-7-24(4)35-32;1-4-5-6-25-9-15-28(16-10-25)33(29-17-11-26(12-18-29)31-21-7-23(2)34-31)30-19-13-27(14-20-30)32-22-8-24(3)35-32;1-19-3-17-27(34-19)21-5-11-24(12-6-21)33(26-15-9-23(10-16-26)29(30,31)32)25-13-7-22(8-14-25)28-18-4-20(2)35-28;1-20-4-18-28(32-20)22-6-10-24(11-7-22)30(26-14-16-27(31-3)17-15-26)25-12-8-23(9-13-25)29-19-5-21(2)33-29;1-20-8-18-27(30-20)22-10-14-25(15-11-22)29(24-6-4-3-5-7-24)26-16-12-23(13-17-26)28-19-9-21(2)31-28/h11,14-15,18-29H,5-10,12-13,16-17H2,1-4H3;6-22H,5H2,1-4H3;7-22H,4-6H2,1-3H3;3-18H,1-2H3;4-19H,1-3H3;3-19H,1-2H3.
What are the key properties of N-(4-butan-2-ylphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(4-hexyl-5-methylthiophen-2-yl)-N-[4-(4-hexyl-5-methylthiophen-2-yl)phenyl]-N-phenylaniline;N-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-phenylaniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline?
N-(4-butan-2-ylphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(4-hexyl-5-methylthiophen-2-yl)-N-[4-(4-hexyl-5-methylthiophen-2-yl)phenyl]-N-phenylaniline;N-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-phenylaniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 3004.36 g/mol, XLogP of 63.51, 46 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(4-hexyl-5-methylthiophen-2-yl)-N-[4-(4-hexyl-5-methylthiophen-2-yl)phenyl]-N-phenylaniline;N-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]aniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-phenylaniline;4-(5-methylthiophen-2-yl)-N-[4-(5-methylthiophen-2-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 159506969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).