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

C130H114N4O4 — CID 139426844

IUPACN-[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
SMILESC=Cc1ccc(COCCCCOCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccccc7)c7cccc(C8=C(c9cccc(N(c%10ccccc%10)c%10ccc(-c%11ccc(-c%12ccc(-c%13ccc(N(c%14ccccc%14)c%14ccc(COCCCCOCc%15ccc(C=C)cc%15)cc%14)cc%13)cc%12)cc%11)cc%10)c9)CCCC8)c7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C130H114N4O4/c1-3-97-39-43-99(44-40-97)93-135-87-19-21-89-137-95-101-47-75-121(76-48-101)131(117-27-9-5-10-28-117)123-79-67-111(68-80-123)107-59-51-103(52-60-107)105-55-63-109(64-56-105)113-71-83-125(84-72-113)133(119-31-13-7-14-32-119)127-35-23-25-115(91-127)129-37-17-18-38-130(129)116-26-24-36-128(92-116)134(120-33-15-8-16-34-120)126-85-73-114(74-86-126)110-65-57-106(58-66-110)104-53-61-108(62-54-104)112-69-81-124(82-70-112)132(118-29-11-6-12-30-118)122-77-49-102(50-78-122)96-138-90-22-20-88-136-94-100-45-41-98(4-2)42-46-100/h3-16,23-36,39-86,91-92H,1-2,17-22,37-38,87-90,93-96H2
InChIKeyKOYWVMWDLJPGCB-UHFFFAOYSA-N
MW1796.37 g/mol
LogP35.37
Rot. Bonds40

About 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

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 (PubChem CID 139426844) has the molecular formula C130H114N4O4 and a molecular weight of 1796.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID139426844
Molecular FormulaC130H114N4O4
Molecular Weight1796.37 g/mol
Exact Mass1794.88
IUPAC NameN-[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
SMILESC=Cc1ccc(COCCCCOCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccccc7)c7cccc(C8=C(c9cccc(N(c%10ccccc%10)c%10ccc(-c%11ccc(-c%12ccc(-c%13ccc(N(c%14ccccc%14)c%14ccc(COCCCCOCc%15ccc(C=C)cc%15)cc%14)cc%13)cc%12)cc%11)cc%10)c9)CCCC8)c7)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C130H114N4O4/c1-3-97-39-43-99(44-40-97)93-135-87-19-21-89-137-95-101-47-75-121(76-48-101)131(117-27-9-5-10-28-117)123-79-67-111(68-80-123)107-59-51-103(52-60-107)105-55-63-109(64-56-105)113-71-83-125(84-72-113)133(119-31-13-7-14-32-119)127-35-23-25-115(91-127)129-37-17-18-38-130(129)116-26-24-36-128(92-116)134(120-33-15-8-16-34-120)126-85-73-114(74-86-126)110-65-57-106(58-66-110)104-53-61-108(62-54-104)112-69-81-124(82-70-112)132(118-29-11-6-12-30-118)122-77-49-102(50-78-122)96-138-90-22-20-88-136-94-100-45-41-98(4-2)42-46-100/h3-16,23-36,39-86,91-92H,1-2,17-22,37-38,87-90,93-96H2
InChIKeyKOYWVMWDLJPGCB-UHFFFAOYSA-N
XLogP35.37
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds40
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001796.37
LogP ≤ 535.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3-[2-(3-anilinophenyl)cyclopenten-1-yl]-N-phenylaniline;N-[4-[4-[4-(4-bromophenyl)phenyl]phenyl]phenyl]-4-[4-(4-ethenylphenoxy)butoxymethyl]-N-phenylaniline;2-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]-5-[2-[3-(N-[4-[4-[4-[4-(N-[4-[4-[(4-ethenylphenyl)methoxy]butoxymethyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]cyclopenten-1-yl]-N-phenylaniline
CID 158138131
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-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
N,N-diphenyl-4-[2,8,13,19-tetrakis[4-[4-(4-ethenylphenoxy)butoxymethyl]phenyl]-16-[4-(N-phenylanilino)phenyl]-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaen-5-yl]aniline;2,8,13,19-tetrakis[4-[4-(4-ethenylphenoxy)butoxymethyl]phenyl]-5-N,5-N,16-N,16-N-tetraphenyl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene-5,16-diamine
CID 159597672
4-ethenyl-N,N-diphenylaniline;4-ethenyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 162186031
3-[3-(3-ethenylphenyl)phenyl]-N-[4-[4-(N-[3-[3-(3-ethenylphenyl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 58113558
2,8,13,19-tetrakis[4-[4-(4-ethenylphenoxy)butoxymethyl]phenyl]-5-N,5-N,16-N,16-N-tetraphenyl-2,8,13,19-tetrazapentacyclo[18.2.2.29,12.13,7.114,18]octacosa-1(22),3(28),4,6,9(27),10,12(26),14,16,18(25),20,23-dodecaene-5,16-diamine
CID 139426851
N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline
CID 21044922
6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-[4-(methoxymethyl)phenyl]carbazol-3-yl]anilino)phenyl]phenyl]-9-[4-(methoxymethyl)phenyl]-N-phenylcarbazol-3-amine
CID 146848929
1-ethenyl-4-(pentoxymethyl)benzene
CID 12541564
4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline
CID 142226896

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1ccc(COCCCCOCc2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(-c6ccc(N(c7ccccc7)c7cccc(C8=C(c9cccc(N(c%10ccccc%10)c%10ccc(-c%11ccc(-c%12ccc(-c%13ccc(N(c%14ccccc%14)c%14ccc(COCCCCOCc%15ccc(C=C)cc%15)cc%14)cc%13)cc%12)cc%11)cc%10)c9)CCCC8)c7)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is KOYWVMWDLJPGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C130H114N4O4/c1-3-97-39-43-99(44-40-97)93-135-87-19-21-89-137-95-101-47-75-121(76-48-101)131(117-27-9-5-10-28-117)123-79-67-111(68-80-123)107-59-51-103(52-60-107)105-55-63-109(64-56-105)113-71-83-125(84-72-113)133(119-31-13-7-14-32-119)127-35-23-25-115(91-127)129-37-17-18-38-130(129)116-26-24-36-128(92-116)134(120-33-15-8-16-34-120)126-85-73-114(74-86-126)110-65-57-106(58-66-110)104-53-61-108(62-54-104)112-69-81-124(82-70-112)132(118-29-11-6-12-30-118)122-77-49-102(50-78-122)96-138-90-22-20-88-136-94-100-45-41-98(4-2)42-46-100/h3-16,23-36,39-86,91-92H,1-2,17-22,37-38,87-90,93-96H2.
What are the key properties of 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?
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 has a molecular weight of 1796.37 g/mol, XLogP of 35.37, 40 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139426844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).