N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline

C78H62F4N4O3 — CID 58058467

IUPACN-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
SMILESCOc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc(N(c8ccc(C)cc8)c8ccc(OC)cc8)cc7)cc6)c6cc(F)c(OC)c(F)c6)cc5)cc4)c4cc(F)c(C)c(F)c4)cc3)cc2)cc1
InChIInChI=1S/C78H62F4N4O3/c1-51-7-23-60(24-8-51)83(68-39-43-72(87-4)44-40-68)62-27-11-54(12-28-62)56-15-31-64(32-16-56)85(70-47-74(79)53(3)75(80)48-70)65-33-17-58(18-34-65)59-21-37-67(38-22-59)86(71-49-76(81)78(89-6)77(82)50-71)66-35-19-57(20-36-66)55-13-29-63(30-14-55)84(61-25-9-52(2)10-26-61)69-41-45-73(88-5)46-42-69/h7-50H,1-6H3
InChIKeyLJDPJNOTKDPTOY-UHFFFAOYSA-N
MW1179.37 g/mol
LogP22.07
Rot. Bonds18

About N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline

N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline (PubChem CID 58058467) has the molecular formula C78H62F4N4O3 and a molecular weight of 1179.37 g/mol. Its IUPAC name is N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline.

Molecular Properties

Compound NameN-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
PubChem CID58058467
Molecular FormulaC78H62F4N4O3
Molecular Weight1179.37 g/mol
Exact Mass1178.48
IUPAC NameN-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
SMILESCOc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc(N(c8ccc(C)cc8)c8ccc(OC)cc8)cc7)cc6)c6cc(F)c(OC)c(F)c6)cc5)cc4)c4cc(F)c(C)c(F)c4)cc3)cc2)cc1
InChIInChI=1S/C78H62F4N4O3/c1-51-7-23-60(24-8-51)83(68-39-43-72(87-4)44-40-68)62-27-11-54(12-28-62)56-15-31-64(32-16-56)85(70-47-74(79)53(3)75(80)48-70)65-33-17-58(18-34-65)59-21-37-67(38-22-59)86(71-49-76(81)78(89-6)77(82)50-71)66-35-19-57(20-36-66)55-13-29-63(30-14-55)84(61-25-9-52(2)10-26-61)69-41-45-73(88-5)46-42-69/h7-50H,1-6H3
InChIKeyLJDPJNOTKDPTOY-UHFFFAOYSA-N
XLogP22.07
TPSA40.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001179.37
LogP ≤ 522.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline?
The IUPAC name of N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline (CID 58058467) is N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline.
What is the SMILES notation for N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline?
The canonical SMILES for N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline is COc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc(N(c8ccc(C)cc8)c8ccc(OC)cc8)cc7)cc6)c6cc(F)c(OC)c(F)c6)cc5)cc4)c4cc(F)c(C)c(F)c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline?
The InChIKey is LJDPJNOTKDPTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H62F4N4O3/c1-51-7-23-60(24-8-51)83(68-39-43-72(87-4)44-40-68)62-27-11-54(12-28-62)56-15-31-64(32-16-56)85(70-47-74(79)53(3)75(80)48-70)65-33-17-58(18-34-65)59-21-37-67(38-22-59)86(71-49-76(81)78(89-6)77(82)50-71)66-35-19-57(20-36-66)55-13-29-63(30-14-55)84(61-25-9-52(2)10-26-61)69-41-45-73(88-5)46-42-69/h7-50H,1-6H3.
What are the key properties of N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline?
N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline has a molecular weight of 1179.37 g/mol, XLogP of 22.07, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-N-[4-[4-(N-(4-methoxyphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline is sourced from PubChem (CID 58058467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).