[(E)-[9-[2-[2-[2-[3-[(E)-2-[cyclohexa-1,5-dien-1-yl(methyl)amino]ethenyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]ethoxy]ethoxy]ethyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-phenylcyanamide

C63H60N10O2 — CID 142087064

IUPAC[(E)-[9-[2-[2-[2-[3-[(E)-2-[cyclohexa-1,5-dien-1-yl(methyl)amino]ethenyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]ethoxy]ethoxy]ethyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-phenylcyanamide
SMILESCN(/C=C/c1ccc2c(c1)c1cc(/C=N/N(C)c3ccccc3)ccc1n2CCOCCOCCn1c2ccc(/C=N/N(C)c3ccccc3)cc2c2cc(/C=N/N(C#N)c3ccccc3)ccc21)C1=CCCC=C1
InChIInChI=1S/C63H60N10O2/c1-68(52-16-8-4-9-17-52)33-32-48-24-28-60-56(40-48)57-41-49(44-65-69(2)53-18-10-5-11-19-53)25-29-61(57)71(60)34-36-74-38-39-75-37-35-72-62-30-26-50(45-66-70(3)54-20-12-6-13-21-54)42-58(62)59-43-51(27-31-63(59)72)46-67-73(47-64)55-22-14-7-15-23-55/h5-8,10-33,40-46H,4,9,34-39H2,1-3H3/b33-32+,65-44+,66-45+,67-46+
InChIKeyPKJNGEDPFSMARW-CWAGBMKCSA-N
MW989.24 g/mol
LogP13.03
Rot. Bonds21

About [(E)-[9-[2-[2-[2-[3-[(E)-2-[cyclohexa-1,5-dien-1-yl(methyl)amino]ethenyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]ethoxy]ethoxy]ethyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-phenylcyanamide

[(E)-[9-[2-[2-[2-[3-[(E)-2-[cyclohexa-1,5-dien-1-yl(methyl)amino]ethenyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]ethoxy]ethoxy]ethyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-phenylcyanamide (PubChem CID 142087064) has the molecular formula C63H60N10O2 and a molecular weight of 989.24 g/mol. Its IUPAC name is [(E)-[9-[2-[2-[2-[3-[(E)-2-[cyclohexa-1,5-dien-1-yl(methyl)amino]ethenyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]ethoxy]ethoxy]ethyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-phenylcyanamide.

Molecular Properties

Compound Name[(E)-[9-[2-[2-[2-[3-[(E)-2-[cyclohexa-1,5-dien-1-yl(methyl)amino]ethenyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]ethoxy]ethoxy]ethyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-phenylcyanamide
PubChem CID142087064
Molecular FormulaC63H60N10O2
Molecular Weight989.24 g/mol
Exact Mass988.49
IUPAC Name[(E)-[9-[2-[2-[2-[3-[(E)-2-[cyclohexa-1,5-dien-1-yl(methyl)amino]ethenyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]ethoxy]ethoxy]ethyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-phenylcyanamide
SMILESCN(/C=C/c1ccc2c(c1)c1cc(/C=N/N(C)c3ccccc3)ccc1n2CCOCCOCCn1c2ccc(/C=N/N(C)c3ccccc3)cc2c2cc(/C=N/N(C#N)c3ccccc3)ccc21)C1=CCCC=C1
InChIInChI=1S/C63H60N10O2/c1-68(52-16-8-4-9-17-52)33-32-48-24-28-60-56(40-48)57-41-49(44-65-69(2)53-18-10-5-11-19-53)25-29-61(57)71(60)34-36-74-38-39-75-37-35-72-62-30-26-50(45-66-70(3)54-20-12-6-13-21-54)42-58(62)59-43-51(27-31-63(59)72)46-67-73(47-64)55-22-14-7-15-23-55/h5-8,10-33,40-46H,4,9,34-39H2,1-3H3/b33-32+,65-44+,66-45+,67-46+
InChIKeyPKJNGEDPFSMARW-CWAGBMKCSA-N
XLogP13.03
TPSA102.15 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500989.24
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-[9-[2-[2-[2-[3-[(E)-2-[cyclohexa-1,5-dien-1-yl(methyl)amino]ethenyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]ethoxy]ethoxy]ethyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-phenylcyanamide with MolForge

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Related Compounds

N-[(E)-2-[9-[10-[3,6-bis[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]decyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]ethenyl]-N-methylaniline
CID 20719221
N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline
CID 54328629
N-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline
CID 74016610
N-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline
CID 20719215
N-cyclohexa-1,5-dien-1-yl-N-phenyl-6-[(E)-2-[6-(N-phenylanilino)naphthalen-2-yl]ethenyl]naphthalen-2-amine
CID 145410466
N,N'-bis[(E)-(9-butylcarbazol-3-yl)methylideneamino]-N,N'-diphenylhexane-1,6-diamine
CID 20734223
N-[(E)-(4-carbazol-9-ylphenyl)methylideneamino]-N-methylaniline
CID 18730197
9-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]carbazole
CID 162646381
N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline
CID 90481154
N-methyl-N-[(E)-pyridin-4-ylmethylideneamino]cyclohexa-1,5-dien-1-amine
CID 143593614
N-ethyl-N-[(9-methylcarbazol-3-yl)methylideneamino]aniline
CID 58681613
N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline
CID 54333940

Frequently Asked Questions

What is the IUPAC name of [(E)-[9-[2-[2-[2-[3-[(E)-2-[cyclohexa-1,5-dien-1-yl(methyl)amino]ethenyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]ethoxy]ethoxy]ethyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-phenylcyanamide?
The IUPAC name of [(E)-[9-[2-[2-[2-[3-[(E)-2-[cyclohexa-1,5-dien-1-yl(methyl)amino]ethenyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]ethoxy]ethoxy]ethyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-phenylcyanamide (CID 142087064) is [(E)-[9-[2-[2-[2-[3-[(E)-2-[cyclohexa-1,5-dien-1-yl(methyl)amino]ethenyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]ethoxy]ethoxy]ethyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-phenylcyanamide.
What is the SMILES notation for [(E)-[9-[2-[2-[2-[3-[(E)-2-[cyclohexa-1,5-dien-1-yl(methyl)amino]ethenyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]ethoxy]ethoxy]ethyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-phenylcyanamide?
The canonical SMILES for [(E)-[9-[2-[2-[2-[3-[(E)-2-[cyclohexa-1,5-dien-1-yl(methyl)amino]ethenyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]ethoxy]ethoxy]ethyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-phenylcyanamide is CN(/C=C/c1ccc2c(c1)c1cc(/C=N/N(C)c3ccccc3)ccc1n2CCOCCOCCn1c2ccc(/C=N/N(C)c3ccccc3)cc2c2cc(/C=N/N(C#N)c3ccccc3)ccc21)C1=CCCC=C1.
What is the InChIKey of [(E)-[9-[2-[2-[2-[3-[(E)-2-[cyclohexa-1,5-dien-1-yl(methyl)amino]ethenyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]ethoxy]ethoxy]ethyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-phenylcyanamide?
The InChIKey is PKJNGEDPFSMARW-CWAGBMKCSA-N. The full InChI is InChI=1S/C63H60N10O2/c1-68(52-16-8-4-9-17-52)33-32-48-24-28-60-56(40-48)57-41-49(44-65-69(2)53-18-10-5-11-19-53)25-29-61(57)71(60)34-36-74-38-39-75-37-35-72-62-30-26-50(45-66-70(3)54-20-12-6-13-21-54)42-58(62)59-43-51(27-31-63(59)72)46-67-73(47-64)55-22-14-7-15-23-55/h5-8,10-33,40-46H,4,9,34-39H2,1-3H3/b33-32+,65-44+,66-45+,67-46+.
What are the key properties of [(E)-[9-[2-[2-[2-[3-[(E)-2-[cyclohexa-1,5-dien-1-yl(methyl)amino]ethenyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]ethoxy]ethoxy]ethyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-phenylcyanamide?
[(E)-[9-[2-[2-[2-[3-[(E)-2-[cyclohexa-1,5-dien-1-yl(methyl)amino]ethenyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]ethoxy]ethoxy]ethyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-phenylcyanamide has a molecular weight of 989.24 g/mol, XLogP of 13.03, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[9-[2-[2-[2-[3-[(E)-2-[cyclohexa-1,5-dien-1-yl(methyl)amino]ethenyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]ethoxy]ethoxy]ethyl]-6-[(E)-[methyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-phenylcyanamide is sourced from PubChem (CID 142087064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).