N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[4-(N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)-2-hexylphenyl]-3-hexyl-N-phenylaniline

C128H114N4O2 — CID 139426917

IUPACN-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[4-(N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)-2-hexylphenyl]-3-hexyl-N-phenylaniline
SMILESC=Cc1ccc(COCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccc(N(c9ccccc9)c9ccc(-c%10ccc(-c%11ccc(-c%12ccc(N(c%13ccccc%13)c%13ccc(COCc%14ccc(C=C)cc%14)cc%13)cc%12)cc%11)cc%10)cc9)cc8CCCCCC)c(CCCCCC)c7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C128H114N4O2/c1-5-9-11-17-27-113-89-125(131(117-33-23-15-24-34-117)123-81-69-111(70-82-123)107-61-53-103(54-62-107)101-49-57-105(58-50-101)109-65-77-121(78-66-109)129(115-29-19-13-20-30-115)119-73-45-99(46-74-119)93-133-91-97-41-37-95(7-3)38-42-97)85-87-127(113)128-88-86-126(90-114(128)28-18-12-10-6-2)132(118-35-25-16-26-36-118)124-83-71-112(72-84-124)108-63-55-104(56-64-108)102-51-59-106(60-52-102)110-67-79-122(80-68-110)130(116-31-21-14-22-32-116)120-75-47-100(48-76-120)94-134-92-98-43-39-96(8-4)40-44-98/h7-8,13-16,19-26,29-90H,3-6,9-12,17-18,27-28,91-94H2,1-2H3
InChIKeyHMKXWZCVBQVWTL-UHFFFAOYSA-N
MW1740.35 g/mol
LogP36.20
Rot. Bonds39

About N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[4-(N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)-2-hexylphenyl]-3-hexyl-N-phenylaniline

N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[4-(N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)-2-hexylphenyl]-3-hexyl-N-phenylaniline (PubChem CID 139426917) has the molecular formula C128H114N4O2 and a molecular weight of 1740.35 g/mol. Its IUPAC name is N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[4-(N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)-2-hexylphenyl]-3-hexyl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[4-(N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)-2-hexylphenyl]-3-hexyl-N-phenylaniline
PubChem CID139426917
Molecular FormulaC128H114N4O2
Molecular Weight1740.35 g/mol
Exact Mass1738.89
IUPAC NameN-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[4-(N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)-2-hexylphenyl]-3-hexyl-N-phenylaniline
SMILESC=Cc1ccc(COCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccc(N(c9ccccc9)c9ccc(-c%10ccc(-c%11ccc(-c%12ccc(N(c%13ccccc%13)c%13ccc(COCc%14ccc(C=C)cc%14)cc%13)cc%12)cc%11)cc%10)cc9)cc8CCCCCC)c(CCCCCC)c7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C128H114N4O2/c1-5-9-11-17-27-113-89-125(131(117-33-23-15-24-34-117)123-81-69-111(70-82-123)107-61-53-103(54-62-107)101-49-57-105(58-50-101)109-65-77-121(78-66-109)129(115-29-19-13-20-30-115)119-73-45-99(46-74-119)93-133-91-97-41-37-95(7-3)38-42-97)85-87-127(113)128-88-86-126(90-114(128)28-18-12-10-6-2)132(118-35-25-16-26-36-118)124-83-71-112(72-84-124)108-63-55-104(56-64-108)102-51-59-106(60-52-102)110-67-79-122(80-68-110)130(116-31-21-14-22-32-116)120-75-47-100(48-76-120)94-134-92-98-43-39-96(8-4)40-44-98/h7-8,13-16,19-26,29-90H,3-6,9-12,17-18,27-28,91-94H2,1-2H3
InChIKeyHMKXWZCVBQVWTL-UHFFFAOYSA-N
XLogP36.20
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds39
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001740.35
LogP ≤ 536.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[4-(N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)-2-hexylphenyl]-3-hexyl-N-phenylaniline with MolForge

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Related Compounds

4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-[4-[[4-[4-[2-[(4-ethenylphenyl)methoxy]ethyl]-N-(4-phenylphenyl)anilino]phenyl]methoxymethyl]phenyl]-N-(4-phenylphenyl)aniline
CID 89417377
N-[4-[3-[(4-ethenylphenyl)methoxy]propyl]phenyl]-3,4-dimethyl-N-(4-phenylphenyl)aniline
CID 89419387
N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-3-[2-[3-(N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]cyclohexen-1-yl]-N-phenylaniline
CID 139426844
N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]-4-propylanilino)-2-methylphenyl]-3-methyl-N-(4-propylphenyl)aniline
CID 89104346
9-(4-tert-butylphenyl)-N-[4-[4-[4-(N-[9-(4-tert-butylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-4-phenylanilino)phenyl]-5-hexyl-2-pentylphenyl]phenyl]-9-[(4-ethenylphenyl)methyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155088287
3-methyl-4-[4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]-2,5-dioctylphenyl]-N-[4-(4-methylphenyl)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 177093097
N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline
CID 89417368
4-ethenyl-N,N-diphenylaniline;4-ethenyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 162186031
4-N-[9-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]carbazol-3-yl]-1-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 176734791
1,4-dihexyl-2,5-bis[4-(4-propylphenyl)phenyl]benzene;N-[4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-(3-methyl-4-phenylphenyl)anilino]phenyl]phenyl]-3-methylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 161089163
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-hexyl-N,N-diphenylaniline
CID 20525221

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[4-(N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)-2-hexylphenyl]-3-hexyl-N-phenylaniline?
The IUPAC name of N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[4-(N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)-2-hexylphenyl]-3-hexyl-N-phenylaniline (CID 139426917) is N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[4-(N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)-2-hexylphenyl]-3-hexyl-N-phenylaniline.
What is the SMILES notation for N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[4-(N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)-2-hexylphenyl]-3-hexyl-N-phenylaniline?
The canonical SMILES for N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[4-(N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)-2-hexylphenyl]-3-hexyl-N-phenylaniline is C=Cc1ccc(COCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccccc7)c7ccc(-c8ccc(N(c9ccccc9)c9ccc(-c%10ccc(-c%11ccc(-c%12ccc(N(c%13ccccc%13)c%13ccc(COCc%14ccc(C=C)cc%14)cc%13)cc%12)cc%11)cc%10)cc9)cc8CCCCCC)c(CCCCCC)c7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[4-(N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)-2-hexylphenyl]-3-hexyl-N-phenylaniline?
The InChIKey is HMKXWZCVBQVWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C128H114N4O2/c1-5-9-11-17-27-113-89-125(131(117-33-23-15-24-34-117)123-81-69-111(70-82-123)107-61-53-103(54-62-107)101-49-57-105(58-50-101)109-65-77-121(78-66-109)129(115-29-19-13-20-30-115)119-73-45-99(46-74-119)93-133-91-97-41-37-95(7-3)38-42-97)85-87-127(113)128-88-86-126(90-114(128)28-18-12-10-6-2)132(118-35-25-16-26-36-118)124-83-71-112(72-84-124)108-63-55-104(56-64-108)102-51-59-106(60-52-102)110-67-79-122(80-68-110)130(116-31-21-14-22-32-116)120-75-47-100(48-76-120)94-134-92-98-43-39-96(8-4)40-44-98/h7-8,13-16,19-26,29-90H,3-6,9-12,17-18,27-28,91-94H2,1-2H3.
What are the key properties of N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[4-(N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)-2-hexylphenyl]-3-hexyl-N-phenylaniline?
N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[4-(N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)-2-hexylphenyl]-3-hexyl-N-phenylaniline has a molecular weight of 1740.35 g/mol, XLogP of 36.20, 39 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-4-[4-(N-[4-[4-[4-[4-(N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)-2-hexylphenyl]-3-hexyl-N-phenylaniline is sourced from PubChem (CID 139426917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).