(E)-1-[9-hexyl-6-[(2E,4Z)-2-methylhexa-2,4-dienyl]carbazol-3-yl]-N-prop-1-en-2-yloxyethanimine

C30H38N2O — CID 144852312

IUPAC(E)-1-[9-hexyl-6-[(2E,4Z)-2-methylhexa-2,4-dienyl]carbazol-3-yl]-N-prop-1-en-2-yloxyethanimine
SMILESC=C(C)O/N=C(\C)c1ccc2c(c1)c1cc(C/C(C)=C/C=C\C)ccc1n2CCCCCC
InChIInChI=1S/C30H38N2O/c1-7-9-11-12-18-32-29-16-14-25(19-23(5)13-10-8-2)20-27(29)28-21-26(15-17-30(28)32)24(6)31-33-22(3)4/h8,10,13-17,20-21H,3,7,9,11-12,18-19H2,1-2,4-6H3/b10-8-,23-13+,31-24+
InChIKeyDXGJUXZZBJBCLT-YAYYBXGLSA-N
MW442.65 g/mol
LogP8.71
Rot. Bonds11

About (E)-1-[9-hexyl-6-[(2E,4Z)-2-methylhexa-2,4-dienyl]carbazol-3-yl]-N-prop-1-en-2-yloxyethanimine

(E)-1-[9-hexyl-6-[(2E,4Z)-2-methylhexa-2,4-dienyl]carbazol-3-yl]-N-prop-1-en-2-yloxyethanimine (PubChem CID 144852312) has the molecular formula C30H38N2O and a molecular weight of 442.65 g/mol. Its IUPAC name is (E)-1-[9-hexyl-6-[(2E,4Z)-2-methylhexa-2,4-dienyl]carbazol-3-yl]-N-prop-1-en-2-yloxyethanimine.

Molecular Properties

Compound Name(E)-1-[9-hexyl-6-[(2E,4Z)-2-methylhexa-2,4-dienyl]carbazol-3-yl]-N-prop-1-en-2-yloxyethanimine
PubChem CID144852312
Molecular FormulaC30H38N2O
Molecular Weight442.65 g/mol
Exact Mass442.30
IUPAC Name(E)-1-[9-hexyl-6-[(2E,4Z)-2-methylhexa-2,4-dienyl]carbazol-3-yl]-N-prop-1-en-2-yloxyethanimine
SMILESC=C(C)O/N=C(\C)c1ccc2c(c1)c1cc(C/C(C)=C/C=C\C)ccc1n2CCCCCC
InChIInChI=1S/C30H38N2O/c1-7-9-11-12-18-32-29-16-14-25(19-23(5)13-10-8-2)20-27(29)28-21-26(15-17-30(28)32)24(6)31-33-22(3)4/h8,10,13-17,20-21H,3,7,9,11-12,18-19H2,1-2,4-6H3/b10-8-,23-13+,31-24+
InChIKeyDXGJUXZZBJBCLT-YAYYBXGLSA-N
XLogP8.71
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.65
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(E)-1-[9-hexyl-6-(1-thiophen-2-ylethenyl)carbazol-3-yl]ethylideneamino] acetate
CID 172920003
[1-(9-hexyl-6-nitrocarbazol-3-yl)ethylideneamino] acetate
CID 76678136
[1-(6-nitro-9-pentylcarbazol-3-yl)ethylideneamino] acetate
CID 76678117
[(E)-1-(6-nitro-9-propylcarbazol-3-yl)ethylideneamino] acetate;tridecane
CID 143707925
1-[9-dodecyl-6-[1-tri(propan-2-yl)silyloxyethenyl]carbazol-3-yl]ethenoxy-tri(propan-2-yl)silane
CID 10580799
[1-[6-nitro-9-(2-octoxyethyl)carbazol-3-yl]ethylideneamino] acetate
CID 76678133
(9-dodecylcarbazol-3-yl)methanol
CID 151995019
[(E)-1-[9-ethyl-6-[(2-methylphenyl)methyl]carbazol-3-yl]ethylideneamino] acetate
CID 87235577
9-[6-(3,6-dicarboxycarbazol-9-yl)hexyl]carbazole-3,6-dicarboxylic acid
CID 53342508
2-[6-(2-carboxybenzoyl)-9-hexylcarbazole-3-carbonyl]benzoic acid
CID 135031024
[(E)-[1-[9-ethyl-6-(2-hydroxy-2-methylpropanoyl)carbazol-3-yl]-1-oxooctan-2-ylidene]amino] acetate
CID 162463660
9-dodecylcarbazole-3,6-dicarbaldehyde
CID 22559825

Frequently Asked Questions

What is the IUPAC name of (E)-1-[9-hexyl-6-[(2E,4Z)-2-methylhexa-2,4-dienyl]carbazol-3-yl]-N-prop-1-en-2-yloxyethanimine?
The IUPAC name of (E)-1-[9-hexyl-6-[(2E,4Z)-2-methylhexa-2,4-dienyl]carbazol-3-yl]-N-prop-1-en-2-yloxyethanimine (CID 144852312) is (E)-1-[9-hexyl-6-[(2E,4Z)-2-methylhexa-2,4-dienyl]carbazol-3-yl]-N-prop-1-en-2-yloxyethanimine.
What is the SMILES notation for (E)-1-[9-hexyl-6-[(2E,4Z)-2-methylhexa-2,4-dienyl]carbazol-3-yl]-N-prop-1-en-2-yloxyethanimine?
The canonical SMILES for (E)-1-[9-hexyl-6-[(2E,4Z)-2-methylhexa-2,4-dienyl]carbazol-3-yl]-N-prop-1-en-2-yloxyethanimine is C=C(C)O/N=C(\C)c1ccc2c(c1)c1cc(C/C(C)=C/C=C\C)ccc1n2CCCCCC.
What is the InChIKey of (E)-1-[9-hexyl-6-[(2E,4Z)-2-methylhexa-2,4-dienyl]carbazol-3-yl]-N-prop-1-en-2-yloxyethanimine?
The InChIKey is DXGJUXZZBJBCLT-YAYYBXGLSA-N. The full InChI is InChI=1S/C30H38N2O/c1-7-9-11-12-18-32-29-16-14-25(19-23(5)13-10-8-2)20-27(29)28-21-26(15-17-30(28)32)24(6)31-33-22(3)4/h8,10,13-17,20-21H,3,7,9,11-12,18-19H2,1-2,4-6H3/b10-8-,23-13+,31-24+.
What are the key properties of (E)-1-[9-hexyl-6-[(2E,4Z)-2-methylhexa-2,4-dienyl]carbazol-3-yl]-N-prop-1-en-2-yloxyethanimine?
(E)-1-[9-hexyl-6-[(2E,4Z)-2-methylhexa-2,4-dienyl]carbazol-3-yl]-N-prop-1-en-2-yloxyethanimine has a molecular weight of 442.65 g/mol, XLogP of 8.71, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[9-hexyl-6-[(2E,4Z)-2-methylhexa-2,4-dienyl]carbazol-3-yl]-N-prop-1-en-2-yloxyethanimine is sourced from PubChem (CID 144852312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).