4-N-(4-ethenylphenyl)-4-N-[4-[2-[4-(4-ethenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine

C67H50F6N4 — CID 130474658

IUPAC4-N-(4-ethenylphenyl)-4-N-[4-[2-[4-(4-ethenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESC=Cc1ccc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(C(c3ccc(N(c4ccc(C=C)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C67H50F6N4/c1-3-49-25-33-57(34-26-49)76(63-45-41-61(42-46-63)74(53-17-9-5-10-18-53)54-19-11-6-12-20-54)59-37-29-51(30-38-59)65(66(68,69)70,67(71,72)73)52-31-39-60(40-32-52)77(58-35-27-50(4-2)28-36-58)64-47-43-62(44-48-64)75(55-21-13-7-14-22-55)56-23-15-8-16-24-56/h3-48H,1-2H2
InChIKeyODFFHDNXXTUQAC-UHFFFAOYSA-N
MW1025.15 g/mol
LogP20.26
Rot. Bonds16

About 4-N-(4-ethenylphenyl)-4-N-[4-[2-[4-(4-ethenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine

4-N-(4-ethenylphenyl)-4-N-[4-[2-[4-(4-ethenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine (PubChem CID 130474658) has the molecular formula C67H50F6N4 and a molecular weight of 1025.15 g/mol. Its IUPAC name is 4-N-(4-ethenylphenyl)-4-N-[4-[2-[4-(4-ethenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-ethenylphenyl)-4-N-[4-[2-[4-(4-ethenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
PubChem CID130474658
Molecular FormulaC67H50F6N4
Molecular Weight1025.15 g/mol
Exact Mass1024.39
IUPAC Name4-N-(4-ethenylphenyl)-4-N-[4-[2-[4-(4-ethenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
SMILESC=Cc1ccc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(C(c3ccc(N(c4ccc(C=C)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1
InChIInChI=1S/C67H50F6N4/c1-3-49-25-33-57(34-26-49)76(63-45-41-61(42-46-63)74(53-17-9-5-10-18-53)54-19-11-6-12-20-54)59-37-29-51(30-38-59)65(66(68,69)70,67(71,72)73)52-31-39-60(40-32-52)77(58-35-27-50(4-2)28-36-58)64-47-43-62(44-48-64)75(55-21-13-7-14-22-55)56-23-15-8-16-24-56/h3-48H,1-2H2
InChIKeyODFFHDNXXTUQAC-UHFFFAOYSA-N
XLogP20.26
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.15
LogP ≤ 520.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-N-(4-ethenylphenyl)-4-N-[4-[2-[4-(4-ethenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-ethenylphenyl)-4-N-[4-[2-[4-(4-ethenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 4-N-(4-ethenylphenyl)-4-N-[4-[2-[4-(4-ethenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine (CID 130474658) is 4-N-(4-ethenylphenyl)-4-N-[4-[2-[4-(4-ethenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-ethenylphenyl)-4-N-[4-[2-[4-(4-ethenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(4-ethenylphenyl)-4-N-[4-[2-[4-(4-ethenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine is C=Cc1ccc(N(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(C(c3ccc(N(c4ccc(C=C)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-N-(4-ethenylphenyl)-4-N-[4-[2-[4-(4-ethenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?
The InChIKey is ODFFHDNXXTUQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H50F6N4/c1-3-49-25-33-57(34-26-49)76(63-45-41-61(42-46-63)74(53-17-9-5-10-18-53)54-19-11-6-12-20-54)59-37-29-51(30-38-59)65(66(68,69)70,67(71,72)73)52-31-39-60(40-32-52)77(58-35-27-50(4-2)28-36-58)64-47-43-62(44-48-64)75(55-21-13-7-14-22-55)56-23-15-8-16-24-56/h3-48H,1-2H2.
What are the key properties of 4-N-(4-ethenylphenyl)-4-N-[4-[2-[4-(4-ethenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine?
4-N-(4-ethenylphenyl)-4-N-[4-[2-[4-(4-ethenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine has a molecular weight of 1025.15 g/mol, XLogP of 20.26, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-ethenylphenyl)-4-N-[4-[2-[4-(4-ethenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 130474658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).