4-[2-[4-[[4-[2-[4-[[4-[2-[4-[[4-[2-(4-amino-2-methylphenyl)ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylaniline

C64H60N8 — CID 59729744

IUPAC4-[2-[4-[[4-[2-[4-[[4-[2-[4-[[4-[2-(4-amino-2-methylphenyl)ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylaniline
SMILESCc1cc(N)ccc1C=Cc1ccc(/N=N/c2ccc(C=Cc3ccc(/N=N/c4ccc(C=Cc5ccc(/N=N/c6ccc(C=Cc7ccc(N)cc7C)c(C)c6)cc5C)c(C)c4)cc3C)c(C)c2)cc1C
InChIInChI=1S/C64H60N8/c1-41-33-57(65)25-17-49(41)9-11-51-19-27-59(35-43(51)3)67-69-61-29-21-53(45(5)37-61)13-15-55-23-31-63(39-47(55)7)71-72-64-32-24-56(48(8)40-64)16-14-54-22-30-62(38-46(54)6)70-68-60-28-20-52(44(4)36-60)12-10-50-18-26-58(66)34-42(50)2/h9-40H,65-66H2,1-8H3/b11-9?,12-10?,15-13?,16-14?,69-67+,70-68+,72-71+
InChIKeyPZLUBCKOCLQKBS-CRJXIRMJSA-N
MW941.24 g/mol
LogP19.25
Rot. Bonds14

About 4-[2-[4-[[4-[2-[4-[[4-[2-[4-[[4-[2-(4-amino-2-methylphenyl)ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylaniline

4-[2-[4-[[4-[2-[4-[[4-[2-[4-[[4-[2-(4-amino-2-methylphenyl)ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylaniline (PubChem CID 59729744) has the molecular formula C64H60N8 and a molecular weight of 941.24 g/mol. Its IUPAC name is 4-[2-[4-[[4-[2-[4-[[4-[2-[4-[[4-[2-(4-amino-2-methylphenyl)ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylaniline.

Molecular Properties

Compound Name4-[2-[4-[[4-[2-[4-[[4-[2-[4-[[4-[2-(4-amino-2-methylphenyl)ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylaniline
PubChem CID59729744
Molecular FormulaC64H60N8
Molecular Weight941.24 g/mol
Exact Mass940.49
IUPAC Name4-[2-[4-[[4-[2-[4-[[4-[2-[4-[[4-[2-(4-amino-2-methylphenyl)ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylaniline
SMILESCc1cc(N)ccc1C=Cc1ccc(/N=N/c2ccc(C=Cc3ccc(/N=N/c4ccc(C=Cc5ccc(/N=N/c6ccc(C=Cc7ccc(N)cc7C)c(C)c6)cc5C)c(C)c4)cc3C)c(C)c2)cc1C
InChIInChI=1S/C64H60N8/c1-41-33-57(65)25-17-49(41)9-11-51-19-27-59(35-43(51)3)67-69-61-29-21-53(45(5)37-61)13-15-55-23-31-63(39-47(55)7)71-72-64-32-24-56(48(8)40-64)16-14-54-22-30-62(38-46(54)6)70-68-60-28-20-52(44(4)36-60)12-10-50-18-26-58(66)34-42(50)2/h9-40H,65-66H2,1-8H3/b11-9?,12-10?,15-13?,16-14?,69-67+,70-68+,72-71+
InChIKeyPZLUBCKOCLQKBS-CRJXIRMJSA-N
XLogP19.25
TPSA126.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.24
LogP ≤ 519.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-[2-[4-[[4-[2-[4-[[4-[2-[4-[[4-[2-(4-amino-2-methylphenyl)ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylaniline with MolForge

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Related Compounds

Xylidine
CID 56846457
4,4'-Ethylenedi-3-toluidine
CID 89867
1,2-Di-2-naphthalenyldiazene
CID 11395
Tetrakis(4-aminophenyl)methane
CID 11825069
4,4',4'',4'''-(Ethene-1,1,2,2-tetrayl)tetraaniline
CID 21678925
4,4''-Azobiphenyl
CID 94720
N-diphenylphosphanyl-1-[2-(diphenylphosphanylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 10931066
4,4,4,4-(1,3,6,8-Pyrenetetrayl)tetrakis[benzenamine]
CID 101573330
4',5'-Bis(4-aminophenyl)-[1,1':2',1''-terphenyl]-4,4''-diamine
CID 155981974
(1e)-1,3-Di(naphthalen-2-yl)triaz-1-ene
CID 290157
1-Naphthalenamine, 4-(2-(4-(2-(1-naphthalenyl)diazenyl)-1-naphthalenyl)diazenyl)-
CID 80871
2,3',4,5',6-Pentaphenyl-3,4'-biphenyldiamine
CID 5043459

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[[4-[2-[4-[[4-[2-[4-[[4-[2-(4-amino-2-methylphenyl)ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylaniline?
The IUPAC name of 4-[2-[4-[[4-[2-[4-[[4-[2-[4-[[4-[2-(4-amino-2-methylphenyl)ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylaniline (CID 59729744) is 4-[2-[4-[[4-[2-[4-[[4-[2-[4-[[4-[2-(4-amino-2-methylphenyl)ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylaniline.
What is the SMILES notation for 4-[2-[4-[[4-[2-[4-[[4-[2-[4-[[4-[2-(4-amino-2-methylphenyl)ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylaniline?
The canonical SMILES for 4-[2-[4-[[4-[2-[4-[[4-[2-[4-[[4-[2-(4-amino-2-methylphenyl)ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylaniline is Cc1cc(N)ccc1C=Cc1ccc(/N=N/c2ccc(C=Cc3ccc(/N=N/c4ccc(C=Cc5ccc(/N=N/c6ccc(C=Cc7ccc(N)cc7C)c(C)c6)cc5C)c(C)c4)cc3C)c(C)c2)cc1C.
What is the InChIKey of 4-[2-[4-[[4-[2-[4-[[4-[2-[4-[[4-[2-(4-amino-2-methylphenyl)ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylaniline?
The InChIKey is PZLUBCKOCLQKBS-CRJXIRMJSA-N. The full InChI is InChI=1S/C64H60N8/c1-41-33-57(65)25-17-49(41)9-11-51-19-27-59(35-43(51)3)67-69-61-29-21-53(45(5)37-61)13-15-55-23-31-63(39-47(55)7)71-72-64-32-24-56(48(8)40-64)16-14-54-22-30-62(38-46(54)6)70-68-60-28-20-52(44(4)36-60)12-10-50-18-26-58(66)34-42(50)2/h9-40H,65-66H2,1-8H3/b11-9?,12-10?,15-13?,16-14?,69-67+,70-68+,72-71+.
What are the key properties of 4-[2-[4-[[4-[2-[4-[[4-[2-[4-[[4-[2-(4-amino-2-methylphenyl)ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylaniline?
4-[2-[4-[[4-[2-[4-[[4-[2-[4-[[4-[2-(4-amino-2-methylphenyl)ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylaniline has a molecular weight of 941.24 g/mol, XLogP of 19.25, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[[4-[2-[4-[[4-[2-[4-[[4-[2-(4-amino-2-methylphenyl)ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylphenyl]diazenyl]-2-methylphenyl]ethenyl]-3-methylaniline is sourced from PubChem (CID 59729744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).