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

C67H69N9 — CID 20719221

IUPACN-[(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
SMILESCN(/C=C/c1ccc2c(c1)c1cc(/C=N/N(C)c3ccccc3)ccc1n2CCCCCCCCCCn1c2ccc(/C=N/N(C)c3ccccc3)cc2c2cc(/C=N/N(C)c3ccccc3)ccc21)c1ccccc1
InChIInChI=1S/C67H69N9/c1-71(56-25-15-11-16-26-56)44-41-52-33-37-64-60(45-52)61-46-53(49-68-72(2)57-27-17-12-18-28-57)34-38-65(61)75(64)42-23-9-7-5-6-8-10-24-43-76-66-39-35-54(50-69-73(3)58-29-19-13-20-30-58)47-62(66)63-48-55(36-40-67(63)76)51-70-74(4)59-31-21-14-22-32-59/h11-22,25-41,44-51H,5-10,23-24,42-43H2,1-4H3/b44-41+,68-49+,69-50+,70-51+
InChIKeyFJSMMTUTESMTJP-ICWMHZHDSA-N
MW1000.35 g/mol
LogP16.24
Rot. Bonds23

About 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

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 (PubChem CID 20719221) has the molecular formula C67H69N9 and a molecular weight of 1000.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID20719221
Molecular FormulaC67H69N9
Molecular Weight1000.35 g/mol
Exact Mass999.57
IUPAC NameN-[(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
SMILESCN(/C=C/c1ccc2c(c1)c1cc(/C=N/N(C)c3ccccc3)ccc1n2CCCCCCCCCCn1c2ccc(/C=N/N(C)c3ccccc3)cc2c2cc(/C=N/N(C)c3ccccc3)ccc21)c1ccccc1
InChIInChI=1S/C67H69N9/c1-71(56-25-15-11-16-26-56)44-41-52-33-37-64-60(45-52)61-46-53(49-68-72(2)57-27-17-12-18-28-57)34-38-65(61)75(64)42-23-9-7-5-6-8-10-24-43-76-66-39-35-54(50-69-73(3)58-29-19-13-20-30-58)47-62(66)63-48-55(36-40-67(63)76)51-70-74(4)59-31-21-14-22-32-59/h11-22,25-41,44-51H,5-10,23-24,42-43H2,1-4H3/b44-41+,68-49+,69-50+,70-51+
InChIKeyFJSMMTUTESMTJP-ICWMHZHDSA-N
XLogP16.24
TPSA59.90 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001000.35
LogP ≤ 516.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline
CID 54328629
N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline
CID 72620759
[(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
N,N'-bis[(E)-(9-butylcarbazol-3-yl)methylideneamino]-N,N'-diphenylhexane-1,6-diamine
CID 20734223
N'-[(E)-(9-heptylcarbazol-3-yl)methylideneamino]-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-N,N'-diphenylpentane-1,5-diamine
CID 21057530
N-[(E)-[9-(2-ethylhexyl)carbazol-3-yl]methylideneamino]-N-methylaniline
CID 20719215
5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine
CID 59696037
N-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline
CID 20650346
N-[(E)-(4-carbazol-9-ylphenyl)methylideneamino]-N-methylaniline
CID 18730197
N-[[6-[(diphenylhydrazinylidene)methyl]-9-(oxiran-2-ylmethyl)carbazol-3-yl]methylideneamino]-N-phenylaniline
CID 74016610
9-(2-ethylhexyl)-3-N,6-N-bis(4-methylphenyl)-3-N,6-N-bis[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenyl]carbazole-3,6-diamine
CID 177397871
N-methyl-N-[(E)-[1-[6-[4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]methylideneamino]aniline
CID 23117094

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(/C=C/c1ccc2c(c1)c1cc(/C=N/N(C)c3ccccc3)ccc1n2CCCCCCCCCCn1c2ccc(/C=N/N(C)c3ccccc3)cc2c2cc(/C=N/N(C)c3ccccc3)ccc21)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is FJSMMTUTESMTJP-ICWMHZHDSA-N. The full InChI is InChI=1S/C67H69N9/c1-71(56-25-15-11-16-26-56)44-41-52-33-37-64-60(45-52)61-46-53(49-68-72(2)57-27-17-12-18-28-57)34-38-65(61)75(64)42-23-9-7-5-6-8-10-24-43-76-66-39-35-54(50-69-73(3)58-29-19-13-20-30-58)47-62(66)63-48-55(36-40-67(63)76)51-70-74(4)59-31-21-14-22-32-59/h11-22,25-41,44-51H,5-10,23-24,42-43H2,1-4H3/b44-41+,68-49+,69-50+,70-51+.
What are the key properties of 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?
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 has a molecular weight of 1000.35 g/mol, XLogP of 16.24, 23 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 20719221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).