4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]aniline

C63H63NO3S3 — CID 121305216

IUPAC4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]aniline
SMILESCCc1c(-c2ccc(OC)cc2)sc(-c2ccc(N(c3ccc(-c4sc(-c5ccc(OC)cc5)c(CC)c4CC)cc3)c3ccc(-c4sc(-c5ccc(OC)cc5)c(CC)c4CC)cc3)cc2)c1CC
InChIInChI=1S/C63H63NO3S3/c1-10-52-55(13-4)61(43-22-34-49(65-7)35-23-43)68-58(52)40-16-28-46(29-17-40)64(47-30-18-41(19-31-47)59-53(11-2)56(14-5)62(69-59)44-24-36-50(66-8)37-25-44)48-32-20-42(21-33-48)60-54(12-3)57(15-6)63(70-60)45-26-38-51(67-9)39-27-45/h16-39H,10-15H2,1-9H3
InChIKeyNVOYAGSTRLZGSR-UHFFFAOYSA-N
MW978.40 g/mol
LogP18.74
Rot. Bonds18

About 4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]aniline

4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]aniline (PubChem CID 121305216) has the molecular formula C63H63NO3S3 and a molecular weight of 978.40 g/mol. Its IUPAC name is 4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]aniline.

Molecular Properties

Compound Name4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]aniline
PubChem CID121305216
Molecular FormulaC63H63NO3S3
Molecular Weight978.40 g/mol
Exact Mass977.40
IUPAC Name4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]aniline
SMILESCCc1c(-c2ccc(OC)cc2)sc(-c2ccc(N(c3ccc(-c4sc(-c5ccc(OC)cc5)c(CC)c4CC)cc3)c3ccc(-c4sc(-c5ccc(OC)cc5)c(CC)c4CC)cc3)cc2)c1CC
InChIInChI=1S/C63H63NO3S3/c1-10-52-55(13-4)61(43-22-34-49(65-7)35-23-43)68-58(52)40-16-28-46(29-17-40)64(47-30-18-41(19-31-47)59-53(11-2)56(14-5)62(69-59)44-24-36-50(66-8)37-25-44)48-32-20-42(21-33-48)60-54(12-3)57(15-6)63(70-60)45-26-38-51(67-9)39-27-45/h16-39H,10-15H2,1-9H3
InChIKeyNVOYAGSTRLZGSR-UHFFFAOYSA-N
XLogP18.74
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500978.40
LogP ≤ 518.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]aniline with MolForge

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Related Compounds

4-[5-[4-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N-[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]anilino]phenyl]-3,4-diethylthiophen-2-yl]phenol
CID 145071325
N-[4-[3,4-diethyl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90057956
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
N-[4-[5-[4-(N-[4-[4-[4-[4-(N-[4-[3,4-diethyl-5-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]-3,4-dimethylthiophen-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 123148058
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate
CID 63398786
[4-(N-[4-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxin-7-yl]phenyl]-4-methylanilino)phenyl] acetate
CID 144857344
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
1,3-bis(4-methoxyphenyl)-2-benzothiophene
CID 14668872

Frequently Asked Questions

What is the IUPAC name of 4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]aniline?
The IUPAC name of 4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]aniline (CID 121305216) is 4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]aniline.
What is the SMILES notation for 4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]aniline?
The canonical SMILES for 4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]aniline is CCc1c(-c2ccc(OC)cc2)sc(-c2ccc(N(c3ccc(-c4sc(-c5ccc(OC)cc5)c(CC)c4CC)cc3)c3ccc(-c4sc(-c5ccc(OC)cc5)c(CC)c4CC)cc3)cc2)c1CC.
What is the InChIKey of 4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]aniline?
The InChIKey is NVOYAGSTRLZGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H63NO3S3/c1-10-52-55(13-4)61(43-22-34-49(65-7)35-23-43)68-58(52)40-16-28-46(29-17-40)64(47-30-18-41(19-31-47)59-53(11-2)56(14-5)62(69-59)44-24-36-50(66-8)37-25-44)48-32-20-42(21-33-48)60-54(12-3)57(15-6)63(70-60)45-26-38-51(67-9)39-27-45/h16-39H,10-15H2,1-9H3.
What are the key properties of 4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]aniline?
4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]aniline has a molecular weight of 978.40 g/mol, XLogP of 18.74, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]-N,N-bis[4-[3,4-diethyl-5-(4-methoxyphenyl)thiophen-2-yl]phenyl]aniline is sourced from PubChem (CID 121305216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).