4-N-[4-(N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-[N-[4-(N-(4-methylphenyl)anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)phenyl]propan-2-yl]phenyl]-4-methylanilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine

C113H86F6N8 — CID 58986519

IUPAC4-N-[4-(N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-[N-[4-(N-(4-methylphenyl)anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)phenyl]propan-2-yl]phenyl]-4-methylanilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
SMILESCc1ccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccc(C(c5ccc(N(c6ccc(C)cc6)c6ccc(N(c7ccc(N(c8ccccc8)c8ccccc8)cc7)c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5)(C(F)(F)F)C(F)(F)F)cc4)cc3)cc2)cc1
InChIInChI=1S/C113H86F6N8/c1-83-43-51-95(52-44-83)123(93-39-23-9-24-40-93)102-65-75-108(76-66-102)127(107-73-63-101(64-74-107)122(91-35-19-7-20-36-91)92-37-21-8-22-38-92)109-77-67-103(68-78-109)124(94-41-25-10-26-42-94)97-55-47-85(48-56-97)111(112(114,115)116,113(117,118)119)86-49-57-98(58-50-86)125(96-53-45-84(2)46-54-96)104-79-81-110(82-80-104)126(105-69-59-99(60-70-105)120(87-27-11-3-12-28-87)88-29-13-4-14-30-88)106-71-61-100(62-72-106)121(89-31-15-5-16-32-89)90-33-17-6-18-34-90/h3-82H,1-2H3
InChIKeyRGQJMDQNBVVDCK-UHFFFAOYSA-N
MW1669.97 g/mol
LogP33.47
Rot. Bonds26

About 4-N-[4-(N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-[N-[4-(N-(4-methylphenyl)anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)phenyl]propan-2-yl]phenyl]-4-methylanilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine

4-N-[4-(N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-[N-[4-(N-(4-methylphenyl)anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)phenyl]propan-2-yl]phenyl]-4-methylanilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine (PubChem CID 58986519) has the molecular formula C113H86F6N8 and a molecular weight of 1669.97 g/mol. Its IUPAC name is 4-N-[4-(N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-[N-[4-(N-(4-methylphenyl)anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)phenyl]propan-2-yl]phenyl]-4-methylanilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-[N-[4-(N-(4-methylphenyl)anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)phenyl]propan-2-yl]phenyl]-4-methylanilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
PubChem CID58986519
Molecular FormulaC113H86F6N8
Molecular Weight1669.97 g/mol
Exact Mass1668.69
IUPAC Name4-N-[4-(N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-[N-[4-(N-(4-methylphenyl)anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)phenyl]propan-2-yl]phenyl]-4-methylanilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
SMILESCc1ccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccc(C(c5ccc(N(c6ccc(C)cc6)c6ccc(N(c7ccc(N(c8ccccc8)c8ccccc8)cc7)c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5)(C(F)(F)F)C(F)(F)F)cc4)cc3)cc2)cc1
InChIInChI=1S/C113H86F6N8/c1-83-43-51-95(52-44-83)123(93-39-23-9-24-40-93)102-65-75-108(76-66-102)127(107-73-63-101(64-74-107)122(91-35-19-7-20-36-91)92-37-21-8-22-38-92)109-77-67-103(68-78-109)124(94-41-25-10-26-42-94)97-55-47-85(48-56-97)111(112(114,115)116,113(117,118)119)86-49-57-98(58-50-86)125(96-53-45-84(2)46-54-96)104-79-81-110(82-80-104)126(105-69-59-99(60-70-105)120(87-27-11-3-12-28-87)88-29-13-4-14-30-88)106-71-61-100(62-72-106)121(89-31-15-5-16-32-89)90-33-17-6-18-34-90/h3-82H,1-2H3
InChIKeyRGQJMDQNBVVDCK-UHFFFAOYSA-N
XLogP33.47
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds26
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001669.97
LogP ≤ 533.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-N-[4-(N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-[N-[4-(N-(4-methylphenyl)anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)phenyl]propan-2-yl]phenyl]-4-methylanilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine with MolForge

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Related Compounds

4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-phenylanilino)phenyl]propan-2-yl]-N,N-diphenylaniline
CID 129147379
4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline
CID 162147514
1-[1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)phenyl]propan-2-yl]-4-methylbenzene
CID 143291553
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-[1-(4-methylphenyl)-1-phenylethyl]benzene
CID 158299637
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline
CID 126517232
N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-(3-methylpentan-3-yl)phenyl]anilino)phenyl]propan-2-yl]phenyl]-N-phenyl-4-propylaniline
CID 143635406
1-N-methyl-4-N-[4-(N-(4-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 58038448

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-[N-[4-(N-(4-methylphenyl)anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)phenyl]propan-2-yl]phenyl]-4-methylanilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N-[4-(N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-[N-[4-(N-(4-methylphenyl)anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)phenyl]propan-2-yl]phenyl]-4-methylanilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine (CID 58986519) is 4-N-[4-(N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-[N-[4-(N-(4-methylphenyl)anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)phenyl]propan-2-yl]phenyl]-4-methylanilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-[N-[4-(N-(4-methylphenyl)anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)phenyl]propan-2-yl]phenyl]-4-methylanilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-[N-[4-(N-(4-methylphenyl)anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)phenyl]propan-2-yl]phenyl]-4-methylanilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine is Cc1ccc(N(c2ccccc2)c2ccc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccc(C(c5ccc(N(c6ccc(C)cc6)c6ccc(N(c7ccc(N(c8ccccc8)c8ccccc8)cc7)c7ccc(N(c8ccccc8)c8ccccc8)cc7)cc6)cc5)(C(F)(F)F)C(F)(F)F)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-N-[4-(N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-[N-[4-(N-(4-methylphenyl)anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)phenyl]propan-2-yl]phenyl]-4-methylanilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
The InChIKey is RGQJMDQNBVVDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C113H86F6N8/c1-83-43-51-95(52-44-83)123(93-39-23-9-24-40-93)102-65-75-108(76-66-102)127(107-73-63-101(64-74-107)122(91-35-19-7-20-36-91)92-37-21-8-22-38-92)109-77-67-103(68-78-109)124(94-41-25-10-26-42-94)97-55-47-85(48-56-97)111(112(114,115)116,113(117,118)119)86-49-57-98(58-50-86)125(96-53-45-84(2)46-54-96)104-79-81-110(82-80-104)126(105-69-59-99(60-70-105)120(87-27-11-3-12-28-87)88-29-13-4-14-30-88)106-71-61-100(62-72-106)121(89-31-15-5-16-32-89)90-33-17-6-18-34-90/h3-82H,1-2H3.
What are the key properties of 4-N-[4-(N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-[N-[4-(N-(4-methylphenyl)anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)phenyl]propan-2-yl]phenyl]-4-methylanilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine?
4-N-[4-(N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-[N-[4-(N-(4-methylphenyl)anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)phenyl]propan-2-yl]phenyl]-4-methylanilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine has a molecular weight of 1669.97 g/mol, XLogP of 33.47, 26 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(N-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(N-[4-[N-[4-(N-(4-methylphenyl)anilino)phenyl]-4-(N-phenylanilino)anilino]phenyl]anilino)phenyl]propan-2-yl]phenyl]-4-methylanilino)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 58986519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).