(E)-1-(9H-fluoren-4-yl)-N-[1-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]ethenyl]ethanimine

C47H35N3 — CID 145017143

IUPAC(E)-1-(9H-fluoren-4-yl)-N-[1-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]ethenyl]ethanimine
SMILESC=C(/N=C(\C)c1cccc2c1-c1ccccc1C2)n1c2ccccc2c2cc(C3=CC4c5ccccc5N(c5ccccc5)C4C=C3)ccc21
InChIInChI=1S/C47H35N3/c1-30(37-20-12-14-35-27-34-13-6-7-17-38(34)47(35)37)48-31(2)49-43-21-10-8-18-39(43)41-28-32(23-25-45(41)49)33-24-26-46-42(29-33)40-19-9-11-22-44(40)50(46)36-15-4-3-5-16-36/h3-26,28-29,42,46H,2,27H2,1H3/b48-30+
InChIKeyLISZOWFZGYNXCL-MUEODZSNSA-N
MW641.82 g/mol
LogP11.56
Rot. Bonds5

About (E)-1-(9H-fluoren-4-yl)-N-[1-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]ethenyl]ethanimine

(E)-1-(9H-fluoren-4-yl)-N-[1-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]ethenyl]ethanimine (PubChem CID 145017143) has the molecular formula C47H35N3 and a molecular weight of 641.82 g/mol. Its IUPAC name is (E)-1-(9H-fluoren-4-yl)-N-[1-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]ethenyl]ethanimine.

Molecular Properties

Compound Name(E)-1-(9H-fluoren-4-yl)-N-[1-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]ethenyl]ethanimine
PubChem CID145017143
Molecular FormulaC47H35N3
Molecular Weight641.82 g/mol
Exact Mass641.28
IUPAC Name(E)-1-(9H-fluoren-4-yl)-N-[1-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]ethenyl]ethanimine
SMILESC=C(/N=C(\C)c1cccc2c1-c1ccccc1C2)n1c2ccccc2c2cc(C3=CC4c5ccccc5N(c5ccccc5)C4C=C3)ccc21
InChIInChI=1S/C47H35N3/c1-30(37-20-12-14-35-27-34-13-6-7-17-38(34)47(35)37)48-31(2)49-43-21-10-8-18-39(43)41-28-32(23-25-45(41)49)33-24-26-46-42(29-33)40-19-9-11-22-44(40)50(46)36-15-4-3-5-16-36/h3-26,28-29,42,46H,2,27H2,1H3/b48-30+
InChIKeyLISZOWFZGYNXCL-MUEODZSNSA-N
XLogP11.56
TPSA20.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.82
LogP ≤ 511.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-phenyl-3-[2-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)phenyl]carbazole
CID 130180361
6-[3-[9-[3-(4-phenylphenyl)phenyl]carbazol-3-yl]-4a,9a-dihydrocarbazol-9-yl]benzene-1,2,3,4,5-pentol
CID 144560235
5,9-diphenyl-3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazole
CID 174252041
3-(9H-fluoren-3-yl)-9-phenyl-4a,9a-dihydrocarbazole;3-(6-naphthalen-1-yl-9H-fluoren-3-yl)-9-phenyl-4a,9a-dihydrocarbazole;9-phenyl-3-(6-phenyl-9H-fluoren-3-yl)-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(2-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(3-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole;9-phenyl-3-[6-(4-phenylphenyl)-9H-fluoren-3-yl]-4a,9a-dihydrocarbazole
CID 162048900
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
5-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146339498
3-(5,9-diphenyl-4a,9a-dihydrocarbazol-3-yl)-9-phenylcarbazole
CID 174244045
3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-9-[3-(4-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 139438644
3-[9-(9,9-dimethylfluoren-2-yl)-4a,9a-dihydrocarbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 149382960
3-(9H-fluoren-3-yl)-9-(2-fluorophenyl)-4a,9a-dihydrocarbazole
CID 158808657
3-(9H-fluoren-3-yl)-6-methyl-9-(4-methylphenyl)-4a,9a-dihydrocarbazole
CID 159331028
14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 89285749

Frequently Asked Questions

What is the IUPAC name of (E)-1-(9H-fluoren-4-yl)-N-[1-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]ethenyl]ethanimine?
The IUPAC name of (E)-1-(9H-fluoren-4-yl)-N-[1-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]ethenyl]ethanimine (CID 145017143) is (E)-1-(9H-fluoren-4-yl)-N-[1-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]ethenyl]ethanimine.
What is the SMILES notation for (E)-1-(9H-fluoren-4-yl)-N-[1-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]ethenyl]ethanimine?
The canonical SMILES for (E)-1-(9H-fluoren-4-yl)-N-[1-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]ethenyl]ethanimine is C=C(/N=C(\C)c1cccc2c1-c1ccccc1C2)n1c2ccccc2c2cc(C3=CC4c5ccccc5N(c5ccccc5)C4C=C3)ccc21.
What is the InChIKey of (E)-1-(9H-fluoren-4-yl)-N-[1-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]ethenyl]ethanimine?
The InChIKey is LISZOWFZGYNXCL-MUEODZSNSA-N. The full InChI is InChI=1S/C47H35N3/c1-30(37-20-12-14-35-27-34-13-6-7-17-38(34)47(35)37)48-31(2)49-43-21-10-8-18-39(43)41-28-32(23-25-45(41)49)33-24-26-46-42(29-33)40-19-9-11-22-44(40)50(46)36-15-4-3-5-16-36/h3-26,28-29,42,46H,2,27H2,1H3/b48-30+.
What are the key properties of (E)-1-(9H-fluoren-4-yl)-N-[1-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]ethenyl]ethanimine?
(E)-1-(9H-fluoren-4-yl)-N-[1-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]ethenyl]ethanimine has a molecular weight of 641.82 g/mol, XLogP of 11.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(9H-fluoren-4-yl)-N-[1-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]ethenyl]ethanimine is sourced from PubChem (CID 145017143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).