2-[6-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-fluoro-9-prop-1-en-2-ylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine

C56H40FN3 — CID 145277089

IUPAC2-[6-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-fluoro-9-prop-1-en-2-ylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESC=C(C)C1(F)c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)C3=C4C=CCC3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C56H40FN3/c1-36(2)56(57)49-31-28-39(40-27-30-45-44-25-15-16-26-48(44)55(51(45)35-40,42-21-11-5-12-22-42)43-23-13-6-14-24-43)33-46(49)47-34-41(29-32-50(47)56)54-59-52(37-17-7-3-8-18-37)58-53(60-54)38-19-9-4-10-20-38/h3-15,17-25,27-35H,1,16,26H2,2H3
InChIKeyWEYVRURRQPHPLU-UHFFFAOYSA-N
MW773.96 g/mol
LogP13.76
Rot. Bonds7

About 2-[6-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-fluoro-9-prop-1-en-2-ylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine

2-[6-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-fluoro-9-prop-1-en-2-ylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 145277089) has the molecular formula C56H40FN3 and a molecular weight of 773.96 g/mol. Its IUPAC name is 2-[6-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-fluoro-9-prop-1-en-2-ylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-fluoro-9-prop-1-en-2-ylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID145277089
Molecular FormulaC56H40FN3
Molecular Weight773.96 g/mol
Exact Mass773.32
IUPAC Name2-[6-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-fluoro-9-prop-1-en-2-ylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESC=C(C)C1(F)c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)C3=C4C=CCC3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C56H40FN3/c1-36(2)56(57)49-31-28-39(40-27-30-45-44-25-15-16-26-48(44)55(51(45)35-40,42-21-11-5-12-22-42)43-23-13-6-14-24-43)33-46(49)47-34-41(29-32-50(47)56)54-59-52(37-17-7-3-8-18-37)58-53(60-54)38-19-9-4-10-20-38/h3-15,17-25,27-35H,1,16,26H2,2H3
InChIKeyWEYVRURRQPHPLU-UHFFFAOYSA-N
XLogP13.76
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.96
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-fluoro-9-prop-1-en-2-ylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[6-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-fluoro-9-prop-1-en-2-ylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine (CID 145277089) is 2-[6-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-fluoro-9-prop-1-en-2-ylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[6-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-fluoro-9-prop-1-en-2-ylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[6-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-fluoro-9-prop-1-en-2-ylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine is C=C(C)C1(F)c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)C3=C4C=CCC3)cc2-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 2-[6-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-fluoro-9-prop-1-en-2-ylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is WEYVRURRQPHPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40FN3/c1-36(2)56(57)49-31-28-39(40-27-30-45-44-25-15-16-26-48(44)55(51(45)35-40,42-21-11-5-12-22-42)43-23-13-6-14-24-43)33-46(49)47-34-41(29-32-50(47)56)54-59-52(37-17-7-3-8-18-37)58-53(60-54)38-19-9-4-10-20-38/h3-15,17-25,27-35H,1,16,26H2,2H3.
What are the key properties of 2-[6-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-fluoro-9-prop-1-en-2-ylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine?
2-[6-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-fluoro-9-prop-1-en-2-ylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 773.96 g/mol, XLogP of 13.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-fluoro-9-prop-1-en-2-ylfluoren-3-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 145277089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).