9-(4-dibenzofuran-4-ylphenyl)-3-[(Z)-3-[(3Z,5Z,8E)-8-fluoro-2-methyl-1-triphenylen-2-yl-2,7-dihydroazonin-9-yl]prop-2-enyl]carbazole

C60H43FN2O — CID 167042895

IUPAC9-(4-dibenzofuran-4-ylphenyl)-3-[(Z)-3-[(3Z,5Z,8E)-8-fluoro-2-methyl-1-triphenylen-2-yl-2,7-dihydroazonin-9-yl]prop-2-enyl]carbazole
SMILESCC1/C=C\C=C/C/C(F)=C(/C=C\Cc2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c3oc3ccccc34)cc2)N1c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C60H43FN2O/c1-39-15-3-2-4-25-55(61)58(62(39)43-34-35-49-47-19-6-5-17-45(47)46-18-7-8-20-48(46)53(49)38-43)27-13-16-40-29-36-57-54(37-40)50-21-9-11-26-56(50)63(57)42-32-30-41(31-33-42)44-23-14-24-52-51-22-10-12-28-59(51)64-60(44)52/h2-15,17-24,26-39H,16,25H2,1H3/b4-2-,15-3-,27-13-,58-55+
InChIKeyGRTBIJWYBFMKRE-MHRKNNIQSA-N
MW827.01 g/mol
LogP16.50
Rot. Bonds6

About 9-(4-dibenzofuran-4-ylphenyl)-3-[(Z)-3-[(3Z,5Z,8E)-8-fluoro-2-methyl-1-triphenylen-2-yl-2,7-dihydroazonin-9-yl]prop-2-enyl]carbazole

9-(4-dibenzofuran-4-ylphenyl)-3-[(Z)-3-[(3Z,5Z,8E)-8-fluoro-2-methyl-1-triphenylen-2-yl-2,7-dihydroazonin-9-yl]prop-2-enyl]carbazole (PubChem CID 167042895) has the molecular formula C60H43FN2O and a molecular weight of 827.01 g/mol. Its IUPAC name is 9-(4-dibenzofuran-4-ylphenyl)-3-[(Z)-3-[(3Z,5Z,8E)-8-fluoro-2-methyl-1-triphenylen-2-yl-2,7-dihydroazonin-9-yl]prop-2-enyl]carbazole.

Molecular Properties

Compound Name9-(4-dibenzofuran-4-ylphenyl)-3-[(Z)-3-[(3Z,5Z,8E)-8-fluoro-2-methyl-1-triphenylen-2-yl-2,7-dihydroazonin-9-yl]prop-2-enyl]carbazole
PubChem CID167042895
Molecular FormulaC60H43FN2O
Molecular Weight827.01 g/mol
Exact Mass826.34
IUPAC Name9-(4-dibenzofuran-4-ylphenyl)-3-[(Z)-3-[(3Z,5Z,8E)-8-fluoro-2-methyl-1-triphenylen-2-yl-2,7-dihydroazonin-9-yl]prop-2-enyl]carbazole
SMILESCC1/C=C\C=C/C/C(F)=C(/C=C\Cc2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c3oc3ccccc34)cc2)N1c1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C60H43FN2O/c1-39-15-3-2-4-25-55(61)58(62(39)43-34-35-49-47-19-6-5-17-45(47)46-18-7-8-20-48(46)53(49)38-43)27-13-16-40-29-36-57-54(37-40)50-21-9-11-26-56(50)63(57)42-32-30-41(31-33-42)44-23-14-24-52-51-22-10-12-28-59(51)64-60(44)52/h2-15,17-24,26-39H,16,25H2,1H3/b4-2-,15-3-,27-13-,58-55+
InChIKeyGRTBIJWYBFMKRE-MHRKNNIQSA-N
XLogP16.50
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.01
LogP ≤ 516.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-4-ylphenyl)-3-[(Z)-3-[(3Z,5Z,8E)-8-fluoro-2-methyl-1-triphenylen-2-yl-2,7-dihydroazonin-9-yl]prop-2-enyl]carbazole?
The IUPAC name of 9-(4-dibenzofuran-4-ylphenyl)-3-[(Z)-3-[(3Z,5Z,8E)-8-fluoro-2-methyl-1-triphenylen-2-yl-2,7-dihydroazonin-9-yl]prop-2-enyl]carbazole (CID 167042895) is 9-(4-dibenzofuran-4-ylphenyl)-3-[(Z)-3-[(3Z,5Z,8E)-8-fluoro-2-methyl-1-triphenylen-2-yl-2,7-dihydroazonin-9-yl]prop-2-enyl]carbazole.
What is the SMILES notation for 9-(4-dibenzofuran-4-ylphenyl)-3-[(Z)-3-[(3Z,5Z,8E)-8-fluoro-2-methyl-1-triphenylen-2-yl-2,7-dihydroazonin-9-yl]prop-2-enyl]carbazole?
The canonical SMILES for 9-(4-dibenzofuran-4-ylphenyl)-3-[(Z)-3-[(3Z,5Z,8E)-8-fluoro-2-methyl-1-triphenylen-2-yl-2,7-dihydroazonin-9-yl]prop-2-enyl]carbazole is CC1/C=C\C=C/C/C(F)=C(/C=C\Cc2ccc3c(c2)c2ccccc2n3-c2ccc(-c3cccc4c3oc3ccccc34)cc2)N1c1ccc2c3ccccc3c3ccccc3c2c1.
What is the InChIKey of 9-(4-dibenzofuran-4-ylphenyl)-3-[(Z)-3-[(3Z,5Z,8E)-8-fluoro-2-methyl-1-triphenylen-2-yl-2,7-dihydroazonin-9-yl]prop-2-enyl]carbazole?
The InChIKey is GRTBIJWYBFMKRE-MHRKNNIQSA-N. The full InChI is InChI=1S/C60H43FN2O/c1-39-15-3-2-4-25-55(61)58(62(39)43-34-35-49-47-19-6-5-17-45(47)46-18-7-8-20-48(46)53(49)38-43)27-13-16-40-29-36-57-54(37-40)50-21-9-11-26-56(50)63(57)42-32-30-41(31-33-42)44-23-14-24-52-51-22-10-12-28-59(51)64-60(44)52/h2-15,17-24,26-39H,16,25H2,1H3/b4-2-,15-3-,27-13-,58-55+.
What are the key properties of 9-(4-dibenzofuran-4-ylphenyl)-3-[(Z)-3-[(3Z,5Z,8E)-8-fluoro-2-methyl-1-triphenylen-2-yl-2,7-dihydroazonin-9-yl]prop-2-enyl]carbazole?
9-(4-dibenzofuran-4-ylphenyl)-3-[(Z)-3-[(3Z,5Z,8E)-8-fluoro-2-methyl-1-triphenylen-2-yl-2,7-dihydroazonin-9-yl]prop-2-enyl]carbazole has a molecular weight of 827.01 g/mol, XLogP of 16.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzofuran-4-ylphenyl)-3-[(Z)-3-[(3Z,5Z,8E)-8-fluoro-2-methyl-1-triphenylen-2-yl-2,7-dihydroazonin-9-yl]prop-2-enyl]carbazole is sourced from PubChem (CID 167042895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).