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

C63H51NO6S9 — CID 102299661

IUPAC4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-N,N-bis[4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline
SMILESCOc1cc(C)sc1-c1ccc(-c2sc(-c3ccc(N(c4ccc(-c5cc(OC)c(-c6ccc(-c7sc(C)cc7OC)s6)s5)cc4)c4ccc(-c5cc(OC)c(-c6ccc(-c7sc(C)cc7OC)s6)s5)cc4)cc3)cc2OC)s1
InChIInChI=1S/C63H51NO6S9/c1-34-28-43(65-4)58(71-34)49-22-25-52(74-49)61-46(68-7)31-55(77-61)37-10-16-40(17-11-37)64(41-18-12-38(13-19-41)56-32-47(69-8)62(78-56)53-26-23-50(75-53)59-44(66-5)29-35(2)72-59)42-20-14-39(15-21-42)57-33-48(70-9)63(79-57)54-27-24-51(76-54)60-45(67-6)30-36(3)73-60/h10-33H,1-9H3
InChIKeyDOESFLOLALVBCP-UHFFFAOYSA-N
MW1206.70 g/mol
LogP21.69
Rot. Bonds18

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

4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-N,N-bis[4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline (PubChem CID 102299661) has the molecular formula C63H51NO6S9 and a molecular weight of 1206.70 g/mol. Its IUPAC name is 4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-N,N-bis[4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline.

Molecular Properties

Compound Name4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-N,N-bis[4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline
PubChem CID102299661
Molecular FormulaC63H51NO6S9
Molecular Weight1206.70 g/mol
Exact Mass1205.12
IUPAC Name4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-N,N-bis[4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline
SMILESCOc1cc(C)sc1-c1ccc(-c2sc(-c3ccc(N(c4ccc(-c5cc(OC)c(-c6ccc(-c7sc(C)cc7OC)s6)s5)cc4)c4ccc(-c5cc(OC)c(-c6ccc(-c7sc(C)cc7OC)s6)s5)cc4)cc3)cc2OC)s1
InChIInChI=1S/C63H51NO6S9/c1-34-28-43(65-4)58(71-34)49-22-25-52(74-49)61-46(68-7)31-55(77-61)37-10-16-40(17-11-37)64(41-18-12-38(13-19-41)56-32-47(69-8)62(78-56)53-26-23-50(75-53)59-44(66-5)29-35(2)72-59)42-20-14-39(15-21-42)57-33-48(70-9)63(79-57)54-27-24-51(76-54)60-45(67-6)30-36(3)73-60/h10-33H,1-9H3
InChIKeyDOESFLOLALVBCP-UHFFFAOYSA-N
XLogP21.69
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001206.70
LogP ≤ 521.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

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Related Compounds

3-methoxy-2-[5-[3-methoxy-5-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 10794234
3-methoxy-2-[4-(3-methoxy-5-methylthiophen-2-yl)phenyl]-5-methylthiophene
CID 101242675
4-methyl-N-[4-[5-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]thiophen-2-yl]phenyl]-N-(4-methylphenyl)aniline
CID 18513254
4-[5-methyl-2-[4-(N-phenylanilino)phenyl]thiophen-3-yl]-N,N-diphenylaniline
CID 130387303
4-methyl-N-(4-methylphenyl)-N-[4-(10'-methylspiro[1,3-dioxane-2,7'-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene]-4'-yl)phenyl]aniline
CID 118653087
3-decyl-2-[5-[5-[3-decyl-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene;3-dodecyl-2-[5-[5-[3-dodecyl-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene;2-[5-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(4-methylphenyl)-3-octylthiophene
CID 90958689
4-methyl-N-[4-[4-(4-methyl-N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline;4-phenyl-N-[4-[4-(4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-[4-(5-phenylthiophen-2-yl)phenyl]aniline;N-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]aniline
CID 161438714
4-methyl-N-[4-[4-[4-[4-(N-(4-methylphenyl)anilino)phenyl]-N-[4-[4-(N-[4-(5-phenylthiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 88567826
4-[10-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-7,7-diphenyl-3,11-dithia-7-silatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-N,N-bis(4-methoxyphenyl)aniline
CID 122388645
4-N-[4-(5-methylthiophen-2-yl)phenyl]-4-N-[4-[4-[4-(5-methylthiophen-2-yl)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 59469925
N-(4-methoxyphenyl)-4-thieno[3,2-b]thiophen-5-yl-N-(4-thieno[3,2-b]thiophen-5-ylphenyl)aniline
CID 118274774
3,4,5-trimethoxy-N-(4-thiophen-2-ylphenyl)-N-(3,4,5-trimethoxyphenyl)aniline
CID 169408874

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-N,N-bis[4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline?
The IUPAC name of 4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-N,N-bis[4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline (CID 102299661) is 4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-N,N-bis[4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline.
What is the SMILES notation for 4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-N,N-bis[4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline?
The canonical SMILES for 4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-N,N-bis[4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline is COc1cc(C)sc1-c1ccc(-c2sc(-c3ccc(N(c4ccc(-c5cc(OC)c(-c6ccc(-c7sc(C)cc7OC)s6)s5)cc4)c4ccc(-c5cc(OC)c(-c6ccc(-c7sc(C)cc7OC)s6)s5)cc4)cc3)cc2OC)s1.
What is the InChIKey of 4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-N,N-bis[4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline?
The InChIKey is DOESFLOLALVBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H51NO6S9/c1-34-28-43(65-4)58(71-34)49-22-25-52(74-49)61-46(68-7)31-55(77-61)37-10-16-40(17-11-37)64(41-18-12-38(13-19-41)56-32-47(69-8)62(78-56)53-26-23-50(75-53)59-44(66-5)29-35(2)72-59)42-20-14-39(15-21-42)57-33-48(70-9)63(79-57)54-27-24-51(76-54)60-45(67-6)30-36(3)73-60/h10-33H,1-9H3.
What are the key properties of 4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-N,N-bis[4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline?
4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-N,N-bis[4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline has a molecular weight of 1206.70 g/mol, XLogP of 21.69, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-N,N-bis[4-[4-methoxy-5-[5-(3-methoxy-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenyl]aniline is sourced from PubChem (CID 102299661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).