N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline

C73H63N3S4 — CID 58825535

IUPACN-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline
SMILESCN(c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7cccs7)s6)cc5)c5ccc(-c6ccc(-c7cccs7)s6)cc5)cc4)cc3)c3ccc(C(C)(C)C)cc3)cc2)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C73H63N3S4/c1-72(2,3)56-24-40-59(41-25-56)74(7)58-28-12-50(13-29-58)51-14-32-61(33-15-51)76(65-42-26-57(27-43-65)73(4,5)6)62-34-18-53(19-35-62)52-16-30-60(31-17-52)75(63-36-20-54(21-37-63)66-44-46-70(79-66)68-10-8-48-77-68)64-38-22-55(23-39-64)67-45-47-71(80-67)69-11-9-49-78-69/h8-49H,1-7H3
InChIKeyGOAOQUPAWXGFFA-UHFFFAOYSA-N
MW1110.60 g/mol
LogP23.24
Rot. Bonds14

About N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline

N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline (PubChem CID 58825535) has the molecular formula C73H63N3S4 and a molecular weight of 1110.60 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline
PubChem CID58825535
Molecular FormulaC73H63N3S4
Molecular Weight1110.60 g/mol
Exact Mass1109.39
IUPAC NameN-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline
SMILESCN(c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7cccs7)s6)cc5)c5ccc(-c6ccc(-c7cccs7)s6)cc5)cc4)cc3)c3ccc(C(C)(C)C)cc3)cc2)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C73H63N3S4/c1-72(2,3)56-24-40-59(41-25-56)74(7)58-28-12-50(13-29-58)51-14-32-61(33-15-51)76(65-42-26-57(27-43-65)73(4,5)6)62-34-18-53(19-35-62)52-16-30-60(31-17-52)75(63-36-20-54(21-37-63)66-44-46-70(79-66)68-10-8-48-77-68)64-38-22-55(23-39-64)67-45-47-71(80-67)69-11-9-49-78-69/h8-49H,1-7H3
InChIKeyGOAOQUPAWXGFFA-UHFFFAOYSA-N
XLogP23.24
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001110.60
LogP ≤ 523.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline?
The IUPAC name of N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline (CID 58825535) is N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline?
The canonical SMILES for N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline is CN(c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccc(-c7cccs7)s6)cc5)c5ccc(-c6ccc(-c7cccs7)s6)cc5)cc4)cc3)c3ccc(C(C)(C)C)cc3)cc2)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline?
The InChIKey is GOAOQUPAWXGFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H63N3S4/c1-72(2,3)56-24-40-59(41-25-56)74(7)58-28-12-50(13-29-58)51-14-32-61(33-15-51)76(65-42-26-57(27-43-65)73(4,5)6)62-34-18-53(19-35-62)52-16-30-60(31-17-52)75(63-36-20-54(21-37-63)66-44-46-70(79-66)68-10-8-48-77-68)64-38-22-55(23-39-64)67-45-47-71(80-67)69-11-9-49-78-69/h8-49H,1-7H3.
What are the key properties of N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline?
N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline has a molecular weight of 1110.60 g/mol, XLogP of 23.24, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline is sourced from PubChem (CID 58825535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).