N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-4-methoxy-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]aniline

C78H62F4N4O6 — CID 88558959

IUPACN-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-4-methoxy-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc(N(c8ccc(OC)cc8)c8ccc(OC)cc8)cc7)cc6)c6cc(F)c(OC)c(F)c6)cc5)cc4)c4cc(F)c(OC)c(F)c4)cc3)cc2)cc1
InChIInChI=1S/C78H62F4N4O6/c1-87-69-39-31-63(32-40-69)83(64-33-41-70(88-2)42-34-64)57-19-7-51(8-20-57)53-11-23-59(24-12-53)85(67-47-73(79)77(91-5)74(80)48-67)61-27-15-55(16-28-61)56-17-29-62(30-18-56)86(68-49-75(81)78(92-6)76(82)50-68)60-25-13-54(14-26-60)52-9-21-58(22-10-52)84(65-35-43-71(89-3)44-36-65)66-37-45-72(90-4)46-38-66/h7-50H,1-6H3
InChIKeySHKHAXPQSHXFDA-UHFFFAOYSA-N
MW1227.37 g/mol
LogP21.17
Rot. Bonds21

About N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-4-methoxy-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]aniline

N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-4-methoxy-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]aniline (PubChem CID 88558959) has the molecular formula C78H62F4N4O6 and a molecular weight of 1227.37 g/mol. Its IUPAC name is N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-4-methoxy-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-4-methoxy-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]aniline
PubChem CID88558959
Molecular FormulaC78H62F4N4O6
Molecular Weight1227.37 g/mol
Exact Mass1226.46
IUPAC NameN-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-4-methoxy-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc(N(c8ccc(OC)cc8)c8ccc(OC)cc8)cc7)cc6)c6cc(F)c(OC)c(F)c6)cc5)cc4)c4cc(F)c(OC)c(F)c4)cc3)cc2)cc1
InChIInChI=1S/C78H62F4N4O6/c1-87-69-39-31-63(32-40-69)83(64-33-41-70(88-2)42-34-64)57-19-7-51(8-20-57)53-11-23-59(24-12-53)85(67-47-73(79)77(91-5)74(80)48-67)61-27-15-55(16-28-61)56-17-29-62(30-18-56)86(68-49-75(81)78(92-6)76(82)50-68)60-25-13-54(14-26-60)52-9-21-58(22-10-52)84(65-35-43-71(89-3)44-36-65)66-37-45-72(90-4)46-38-66/h7-50H,1-6H3
InChIKeySHKHAXPQSHXFDA-UHFFFAOYSA-N
XLogP21.17
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001227.37
LogP ≤ 521.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-4-methoxy-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]aniline 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-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-4-methoxy-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]aniline?
The IUPAC name of N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-4-methoxy-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]aniline (CID 88558959) is N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-4-methoxy-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]aniline.
What is the SMILES notation for N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-4-methoxy-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]aniline?
The canonical SMILES for N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-4-methoxy-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]aniline is COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(-c7ccc(N(c8ccc(OC)cc8)c8ccc(OC)cc8)cc7)cc6)c6cc(F)c(OC)c(F)c6)cc5)cc4)c4cc(F)c(OC)c(F)c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-4-methoxy-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]aniline?
The InChIKey is SHKHAXPQSHXFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H62F4N4O6/c1-87-69-39-31-63(32-40-69)83(64-33-41-70(88-2)42-34-64)57-19-7-51(8-20-57)53-11-23-59(24-12-53)85(67-47-73(79)77(91-5)74(80)48-67)61-27-15-55(16-28-61)56-17-29-62(30-18-56)86(68-49-75(81)78(92-6)76(82)50-68)60-25-13-54(14-26-60)52-9-21-58(22-10-52)84(65-35-43-71(89-3)44-36-65)66-37-45-72(90-4)46-38-66/h7-50H,1-6H3.
What are the key properties of N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-4-methoxy-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]aniline?
N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-4-methoxy-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]aniline has a molecular weight of 1227.37 g/mol, XLogP of 21.17, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[N-(3,5-difluoro-4-methoxyphenyl)-4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]anilino]phenyl]phenyl]-3,5-difluoro-4-methoxy-N-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 88558959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).