(E)-3-carbazol-9-yl-1-phenyl-N-[(E)-1-triphenylen-2-ylbut-1-enyl]but-2-en-1-imine

C44H34N2 — CID 139356624

IUPAC(E)-3-carbazol-9-yl-1-phenyl-N-[(E)-1-triphenylen-2-ylbut-1-enyl]but-2-en-1-imine
SMILESCC/C=C(/N=C(\C=C(/C)n1c2ccccc2c2ccccc21)c1ccccc1)c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C44H34N2/c1-3-15-41(32-26-27-37-35-20-8-7-18-33(35)34-19-9-10-21-36(34)40(37)29-32)45-42(31-16-5-4-6-17-31)28-30(2)46-43-24-13-11-22-38(43)39-23-12-14-25-44(39)46/h4-29H,3H2,1-2H3/b30-28+,41-15+,45-42+
InChIKeyANZXUJJYBGFVJJ-AKGQCHHASA-N
MW590.77 g/mol
LogP12.06
Rot. Bonds6

About (E)-3-carbazol-9-yl-1-phenyl-N-[(E)-1-triphenylen-2-ylbut-1-enyl]but-2-en-1-imine

(E)-3-carbazol-9-yl-1-phenyl-N-[(E)-1-triphenylen-2-ylbut-1-enyl]but-2-en-1-imine (PubChem CID 139356624) has the molecular formula C44H34N2 and a molecular weight of 590.77 g/mol. Its IUPAC name is (E)-3-carbazol-9-yl-1-phenyl-N-[(E)-1-triphenylen-2-ylbut-1-enyl]but-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-carbazol-9-yl-1-phenyl-N-[(E)-1-triphenylen-2-ylbut-1-enyl]but-2-en-1-imine
PubChem CID139356624
Molecular FormulaC44H34N2
Molecular Weight590.77 g/mol
Exact Mass590.27
IUPAC Name(E)-3-carbazol-9-yl-1-phenyl-N-[(E)-1-triphenylen-2-ylbut-1-enyl]but-2-en-1-imine
SMILESCC/C=C(/N=C(\C=C(/C)n1c2ccccc2c2ccccc21)c1ccccc1)c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C44H34N2/c1-3-15-41(32-26-27-37-35-20-8-7-18-33(35)34-19-9-10-21-36(34)40(37)29-32)45-42(31-16-5-4-6-17-31)28-30(2)46-43-24-13-11-22-38(43)39-23-12-14-25-44(39)46/h4-29H,3H2,1-2H3/b30-28+,41-15+,45-42+
InChIKeyANZXUJJYBGFVJJ-AKGQCHHASA-N
XLogP12.06
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.77
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze (E)-3-carbazol-9-yl-1-phenyl-N-[(E)-1-triphenylen-2-ylbut-1-enyl]but-2-en-1-imine with MolForge

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Related Compounds

N-[(E)-1-phenylbut-1-enyl]-1-triphenylen-2-ylpropan-1-imine
CID 138548623
N-[(Z)-1-triphenylen-2-ylprop-1-enyl]methanimine
CID 145299137
N-[(1Z,3Z)-1-[3-carbazol-9-yl-5-(8H-cyclohepta[b]indol-5-yl)phenyl]-3-phenylhexa-1,3-dienyl]-1-phenylethanimine
CID 143619851
2-prop-1-en-2-yltriphenylene
CID 142551751
N-(1-carbazol-9-ylethenyl)-1-phenylethanimine
CID 174072422
N'-[(E)-1-(4-methylphenyl)but-1-enyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 144573951
9-ethylcarbazole-3-carboxylic acid
CID 4912869
9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole
CID 102220131
9-[3-carbazol-9-yl-5-[(4E,6Z)-6-dibenzofuran-2-ylnona-4,6-dien-4-yl]phenyl]carbazole;prop-1-en-2-ylbenzene
CID 144649919
3-cyano-N-propan-2-ylidene-N'-[(Z)-1-triphenylen-2-ylprop-1-enyl]benzenecarboximidamide
CID 153329289
9-[2,3-bis(ethenyl)-1-phenylindol-5-yl]-3-[(3E,5E)-5-triphenylen-2-ylhepta-3,5-dien-3-yl]carbazole;ethane
CID 144907014
9-hepta-2,4,6-trien-2-ylcarbazole
CID 123951292

Frequently Asked Questions

What is the IUPAC name of (E)-3-carbazol-9-yl-1-phenyl-N-[(E)-1-triphenylen-2-ylbut-1-enyl]but-2-en-1-imine?
The IUPAC name of (E)-3-carbazol-9-yl-1-phenyl-N-[(E)-1-triphenylen-2-ylbut-1-enyl]but-2-en-1-imine (CID 139356624) is (E)-3-carbazol-9-yl-1-phenyl-N-[(E)-1-triphenylen-2-ylbut-1-enyl]but-2-en-1-imine.
What is the SMILES notation for (E)-3-carbazol-9-yl-1-phenyl-N-[(E)-1-triphenylen-2-ylbut-1-enyl]but-2-en-1-imine?
The canonical SMILES for (E)-3-carbazol-9-yl-1-phenyl-N-[(E)-1-triphenylen-2-ylbut-1-enyl]but-2-en-1-imine is CC/C=C(/N=C(\C=C(/C)n1c2ccccc2c2ccccc21)c1ccccc1)c1ccc2c3ccccc3c3ccccc3c2c1.
What is the InChIKey of (E)-3-carbazol-9-yl-1-phenyl-N-[(E)-1-triphenylen-2-ylbut-1-enyl]but-2-en-1-imine?
The InChIKey is ANZXUJJYBGFVJJ-AKGQCHHASA-N. The full InChI is InChI=1S/C44H34N2/c1-3-15-41(32-26-27-37-35-20-8-7-18-33(35)34-19-9-10-21-36(34)40(37)29-32)45-42(31-16-5-4-6-17-31)28-30(2)46-43-24-13-11-22-38(43)39-23-12-14-25-44(39)46/h4-29H,3H2,1-2H3/b30-28+,41-15+,45-42+.
What are the key properties of (E)-3-carbazol-9-yl-1-phenyl-N-[(E)-1-triphenylen-2-ylbut-1-enyl]but-2-en-1-imine?
(E)-3-carbazol-9-yl-1-phenyl-N-[(E)-1-triphenylen-2-ylbut-1-enyl]but-2-en-1-imine has a molecular weight of 590.77 g/mol, XLogP of 12.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-carbazol-9-yl-1-phenyl-N-[(E)-1-triphenylen-2-ylbut-1-enyl]but-2-en-1-imine is sourced from PubChem (CID 139356624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).