5-N,9-N-di(dibenzofuran-4-yl)-9-N-[(1Z,3E,5E)-2-fluoro-4,6-diphenylhexa-1,3,5-trienyl]-5-N-(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine

C89H58F2N2O2 — CID 90142436

IUPAC5-N,9-N-di(dibenzofuran-4-yl)-9-N-[(1Z,3E,5E)-2-fluoro-4,6-diphenylhexa-1,3,5-trienyl]-5-N-(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine
SMILESFC(=C\N(c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3c(F)cc(-c4ccccc4)cc3-c3ccccc3)c3cccc4c3oc3ccccc34)c3ccccc3c1-2)c1cccc2c1oc1ccccc12)/C=C(\C=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C89H58F2N2O2/c90-67(53-63(60-29-9-2-10-30-60)50-49-59-27-7-1-8-28-59)58-92(80-45-25-43-73-70-40-21-23-47-83(70)94-87(73)80)68-51-52-75-77(56-68)89(65-35-15-5-16-36-65,66-37-17-6-18-38-66)78-57-82(69-39-19-20-42-72(69)85(75)78)93(81-46-26-44-74-71-41-22-24-48-84(71)95-88(74)81)86-76(62-33-13-4-14-34-62)54-64(55-79(86)91)61-31-11-3-12-32-61/h1-58H/b50-49+,63-53+,67-58-
InChIKeyXZCGFRNTGPZRRD-BAUVOYKVSA-N
MW1225.45 g/mol
LogP24.69
Rot. Bonds14

About 5-N,9-N-di(dibenzofuran-4-yl)-9-N-[(1Z,3E,5E)-2-fluoro-4,6-diphenylhexa-1,3,5-trienyl]-5-N-(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine

5-N,9-N-di(dibenzofuran-4-yl)-9-N-[(1Z,3E,5E)-2-fluoro-4,6-diphenylhexa-1,3,5-trienyl]-5-N-(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine (PubChem CID 90142436) has the molecular formula C89H58F2N2O2 and a molecular weight of 1225.45 g/mol. Its IUPAC name is 5-N,9-N-di(dibenzofuran-4-yl)-9-N-[(1Z,3E,5E)-2-fluoro-4,6-diphenylhexa-1,3,5-trienyl]-5-N-(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine.

Molecular Properties

Compound Name5-N,9-N-di(dibenzofuran-4-yl)-9-N-[(1Z,3E,5E)-2-fluoro-4,6-diphenylhexa-1,3,5-trienyl]-5-N-(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine
PubChem CID90142436
Molecular FormulaC89H58F2N2O2
Molecular Weight1225.45 g/mol
Exact Mass1224.45
IUPAC Name5-N,9-N-di(dibenzofuran-4-yl)-9-N-[(1Z,3E,5E)-2-fluoro-4,6-diphenylhexa-1,3,5-trienyl]-5-N-(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine
SMILESFC(=C\N(c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3c(F)cc(-c4ccccc4)cc3-c3ccccc3)c3cccc4c3oc3ccccc34)c3ccccc3c1-2)c1cccc2c1oc1ccccc12)/C=C(\C=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C89H58F2N2O2/c90-67(53-63(60-29-9-2-10-30-60)50-49-59-27-7-1-8-28-59)58-92(80-45-25-43-73-70-40-21-23-47-83(70)94-87(73)80)68-51-52-75-77(56-68)89(65-35-15-5-16-36-65,66-37-17-6-18-38-66)78-57-82(69-39-19-20-42-72(69)85(75)78)93(81-46-26-44-74-71-41-22-24-48-84(71)95-88(74)81)86-76(62-33-13-4-14-34-62)54-64(55-79(86)91)61-31-11-3-12-32-61/h1-58H/b50-49+,63-53+,67-58-
InChIKeyXZCGFRNTGPZRRD-BAUVOYKVSA-N
XLogP24.69
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001225.45
LogP ≤ 524.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-N,9-N-di(dibenzofuran-4-yl)-9-N-[(1Z,3E,5E)-2-fluoro-4,6-diphenylhexa-1,3,5-trienyl]-5-N-(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine with MolForge

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Related Compounds

5-N,9-N-di(dibenzofuran-4-yl)-5-N,9-N-bis(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine
CID 90139883
7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 90139897
6-N,11-N-di(dibenzofuran-4-yl)-6-N,11-N-bis(2-fluoro-4,6-diphenylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine
CID 90262538
N-(3,4-dimethylphenyl)-N-(9-methyl-7,7-diphenylbenzo[c]fluoren-5-yl)dibenzofuran-4-amine
CID 144614268
1-N-dibenzofuran-4-yl-6-N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-1-N-(2-fluoro-4,6-diphenylphenyl)-6-N-phenylpyrene-1,6-diamine
CID 118547512
5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine
CID 90139898
17-N-dibenzofuran-4-yl-4-N-(2-fluoro-4,6-diphenylphenyl)-4-N,17-N-bis(2-phenylphenyl)-20-oxahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
CID 118148954
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine
CID 122675382
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298285
N-[7-[5-(N-dibenzofuran-4-yl-4-phenylanilino)-7-methylbenzo[c]fluoren-7-yl]-7-methylbenzo[c]fluoren-5-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 140862629
18-N-dibenzofuran-4-yl-5-N-(2-fluoro-4,6-diphenylphenyl)-18-N-phenyl-5-N-(2-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 121476585
5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine
CID 126550480

Frequently Asked Questions

What is the IUPAC name of 5-N,9-N-di(dibenzofuran-4-yl)-9-N-[(1Z,3E,5E)-2-fluoro-4,6-diphenylhexa-1,3,5-trienyl]-5-N-(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine?
The IUPAC name of 5-N,9-N-di(dibenzofuran-4-yl)-9-N-[(1Z,3E,5E)-2-fluoro-4,6-diphenylhexa-1,3,5-trienyl]-5-N-(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine (CID 90142436) is 5-N,9-N-di(dibenzofuran-4-yl)-9-N-[(1Z,3E,5E)-2-fluoro-4,6-diphenylhexa-1,3,5-trienyl]-5-N-(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine.
What is the SMILES notation for 5-N,9-N-di(dibenzofuran-4-yl)-9-N-[(1Z,3E,5E)-2-fluoro-4,6-diphenylhexa-1,3,5-trienyl]-5-N-(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine?
The canonical SMILES for 5-N,9-N-di(dibenzofuran-4-yl)-9-N-[(1Z,3E,5E)-2-fluoro-4,6-diphenylhexa-1,3,5-trienyl]-5-N-(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine is FC(=C\N(c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(N(c3c(F)cc(-c4ccccc4)cc3-c3ccccc3)c3cccc4c3oc3ccccc34)c3ccccc3c1-2)c1cccc2c1oc1ccccc12)/C=C(\C=C\c1ccccc1)c1ccccc1.
What is the InChIKey of 5-N,9-N-di(dibenzofuran-4-yl)-9-N-[(1Z,3E,5E)-2-fluoro-4,6-diphenylhexa-1,3,5-trienyl]-5-N-(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine?
The InChIKey is XZCGFRNTGPZRRD-BAUVOYKVSA-N. The full InChI is InChI=1S/C89H58F2N2O2/c90-67(53-63(60-29-9-2-10-30-60)50-49-59-27-7-1-8-28-59)58-92(80-45-25-43-73-70-40-21-23-47-83(70)94-87(73)80)68-51-52-75-77(56-68)89(65-35-15-5-16-36-65,66-37-17-6-18-38-66)78-57-82(69-39-19-20-42-72(69)85(75)78)93(81-46-26-44-74-71-41-22-24-48-84(71)95-88(74)81)86-76(62-33-13-4-14-34-62)54-64(55-79(86)91)61-31-11-3-12-32-61/h1-58H/b50-49+,63-53+,67-58-.
What are the key properties of 5-N,9-N-di(dibenzofuran-4-yl)-9-N-[(1Z,3E,5E)-2-fluoro-4,6-diphenylhexa-1,3,5-trienyl]-5-N-(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine?
5-N,9-N-di(dibenzofuran-4-yl)-9-N-[(1Z,3E,5E)-2-fluoro-4,6-diphenylhexa-1,3,5-trienyl]-5-N-(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine has a molecular weight of 1225.45 g/mol, XLogP of 24.69, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,9-N-di(dibenzofuran-4-yl)-9-N-[(1Z,3E,5E)-2-fluoro-4,6-diphenylhexa-1,3,5-trienyl]-5-N-(2-fluoro-4,6-diphenylphenyl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 90142436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).