N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline

C43H45N3 — CID 72620759

IUPACN-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline
SMILESCCCCCCCCCCn1c2ccccc2c2cc(C=NN(c3ccccc3)c3ccc(C=Cc4ccccc4)cc3)ccc21
InChIInChI=1S/C43H45N3/c1-2-3-4-5-6-7-8-17-32-45-42-23-16-15-22-40(42)41-33-37(28-31-43(41)45)34-44-46(38-20-13-10-14-21-38)39-29-26-36(27-30-39)25-24-35-18-11-9-12-19-35/h9-16,18-31,33-34H,2-8,17,32H2,1H3
InChIKeyXTPAZBSATZAHMC-UHFFFAOYSA-N
MW603.85 g/mol
LogP12.28
Rot. Bonds15

About N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline

N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline (PubChem CID 72620759) has the molecular formula C43H45N3 and a molecular weight of 603.85 g/mol. Its IUPAC name is N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline.

Molecular Properties

Compound NameN-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline
PubChem CID72620759
Molecular FormulaC43H45N3
Molecular Weight603.85 g/mol
Exact Mass603.36
IUPAC NameN-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline
SMILESCCCCCCCCCCn1c2ccccc2c2cc(C=NN(c3ccccc3)c3ccc(C=Cc4ccccc4)cc3)ccc21
InChIInChI=1S/C43H45N3/c1-2-3-4-5-6-7-8-17-32-45-42-23-16-15-22-40(42)41-33-37(28-31-43(41)45)34-44-46(38-20-13-10-14-21-38)39-29-26-36(27-30-39)25-24-35-18-11-9-12-19-35/h9-16,18-31,33-34H,2-8,17,32H2,1H3
InChIKeyXTPAZBSATZAHMC-UHFFFAOYSA-N
XLogP12.28
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.85
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[(Z)-(9-pentylcarbazol-3-yl)methylideneamino]-N,1-diphenylpyrazol-3-amine
CID 59696037
N'-[(E)-(9-heptylcarbazol-3-yl)methylideneamino]-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]-N,N'-diphenylpentane-1,5-diamine
CID 21057530
N-methyl-N-[[9-[9-[3-[[methyl(phenyl)hydrazinylidene]methyl]carbazol-9-yl]nonyl]carbazol-3-yl]methylideneamino]aniline
CID 54328629
N,N'-bis[(E)-(9-butylcarbazol-3-yl)methylideneamino]-N,N'-diphenylhexane-1,6-diamine
CID 20734223
9-hexyl-2,7-bis[(E)-2-(9-hexylcarbazol-2-yl)ethenyl]carbazole
CID 58937439
4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine
CID 20761205
benzene;9-octylcarbazole
CID 175067369
9-ethyl-6-[2-(9-heptylcarbazol-3-yl)ethenyl]carbazole-3-carbaldehyde
CID 172869489
N-[(E)-(9-ethyl-6-methylcarbazol-3-yl)methylideneamino]-N-phenylaniline
CID 20650346
N-phenyl-N-[(E)-(9-propan-2-ylcarbazol-3-yl)methylideneamino]aniline
CID 14982033
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
9-docosylcarbazole
CID 10528568

Frequently Asked Questions

What is the IUPAC name of N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline?
The IUPAC name of N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline (CID 72620759) is N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline.
What is the SMILES notation for N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline?
The canonical SMILES for N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline is CCCCCCCCCCn1c2ccccc2c2cc(C=NN(c3ccccc3)c3ccc(C=Cc4ccccc4)cc3)ccc21.
What is the InChIKey of N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline?
The InChIKey is XTPAZBSATZAHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H45N3/c1-2-3-4-5-6-7-8-17-32-45-42-23-16-15-22-40(42)41-33-37(28-31-43(41)45)34-44-46(38-20-13-10-14-21-38)39-29-26-36(27-30-39)25-24-35-18-11-9-12-19-35/h9-16,18-31,33-34H,2-8,17,32H2,1H3.
What are the key properties of N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline?
N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline has a molecular weight of 603.85 g/mol, XLogP of 12.28, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-decylcarbazol-3-yl)methylideneamino]-N-phenyl-4-(2-phenylethenyl)aniline is sourced from PubChem (CID 72620759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).