3-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenyl)phenyl]fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine

C94H68F2N2O — CID 177262564

IUPAC3-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenyl)phenyl]fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine
SMILESC=Cc1ccc(-c2ccc(C3(c4cc(C)ccc4C)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5ccc6c(c5)oc5cc(N(c7ccc(F)cc7)c7ccc8c(c7)C(c7ccc(-c9ccc(C=C)cc9)cc7)(c7cc(C)ccc7C)c7ccccc7-8)ccc56)cc43)cc2)cc1
InChIInChI=1S/C94H68F2N2O/c1-7-63-21-25-65(26-22-63)67-29-33-69(34-30-67)93(87-53-59(3)17-19-61(87)5)85-15-11-9-13-79(85)81-49-45-75(55-89(81)93)97(73-41-37-71(95)38-42-73)77-47-51-83-84-52-48-78(58-92(84)99-91(83)57-77)98(74-43-39-72(96)40-44-74)76-46-50-82-80-14-10-12-16-86(80)94(90(82)56-76,88-54-60(4)18-20-62(88)6)70-35-31-68(32-36-70)66-27-23-64(8-2)24-28-66/h7-58H,1-2H2,3-6H3
InChIKeyOAQGKZWFLVHSKZ-UHFFFAOYSA-N
MW1279.59 g/mol
LogP25.38
Rot. Bonds14

About 3-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenyl)phenyl]fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine

3-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenyl)phenyl]fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine (PubChem CID 177262564) has the molecular formula C94H68F2N2O and a molecular weight of 1279.59 g/mol. Its IUPAC name is 3-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenyl)phenyl]fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine.

Molecular Properties

Compound Name3-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenyl)phenyl]fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine
PubChem CID177262564
Molecular FormulaC94H68F2N2O
Molecular Weight1279.59 g/mol
Exact Mass1278.53
IUPAC Name3-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenyl)phenyl]fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine
SMILESC=Cc1ccc(-c2ccc(C3(c4cc(C)ccc4C)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5ccc6c(c5)oc5cc(N(c7ccc(F)cc7)c7ccc8c(c7)C(c7ccc(-c9ccc(C=C)cc9)cc7)(c7cc(C)ccc7C)c7ccccc7-8)ccc56)cc43)cc2)cc1
InChIInChI=1S/C94H68F2N2O/c1-7-63-21-25-65(26-22-63)67-29-33-69(34-30-67)93(87-53-59(3)17-19-61(87)5)85-15-11-9-13-79(85)81-49-45-75(55-89(81)93)97(73-41-37-71(95)38-42-73)77-47-51-83-84-52-48-78(58-92(84)99-91(83)57-77)98(74-43-39-72(96)40-44-74)76-46-50-82-80-14-10-12-16-86(80)94(90(82)56-76,88-54-60(4)18-20-62(88)6)70-35-31-68(32-36-70)66-27-23-64(8-2)24-28-66/h7-58H,1-2H2,3-6H3
InChIKeyOAQGKZWFLVHSKZ-UHFFFAOYSA-N
XLogP25.38
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001279.59
LogP ≤ 525.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenyl)phenyl]fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine with MolForge

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Related Compounds

9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-4-phenylanilino)-2-fluorophenyl]-3-fluorophenyl]-9-(4-ethenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 166648049
3-N,7-N-bis(3,4-difluorophenyl)-3-N,7-N-bis[3-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]dibenzofuran-3,7-diamine
CID 177262614
2-N,7-N-bis[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 146516509
3-N,7-N-bis[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-3-N,7-N-bis[4-(4-fluorophenyl)-2,5-dimethylphenyl]dibenzofuran-3,7-diamine
CID 177262610
3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,6-trifluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine
CID 172547004
3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,6-tetrafluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine
CID 172547057
N-(2,5-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-ethenylphenyl)fluoren-2-amine
CID 174354316
9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-N-(4-fluoro-3-methylphenyl)-9-(4-fluorophenyl)fluoren-2-amine
CID 163500868
2-N,2-N'-di(dibenzofuran-3-yl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 170413785
3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 172546982
4-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,4-N-bis(3-fluoro-4-methylphenyl)-1-N-[9-(4-fluorophenyl)-9-[4-(4-methylphenoxy)phenyl]fluoren-2-yl]benzene-1,4-diamine
CID 174355086
2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine
CID 172546940

Frequently Asked Questions

What is the IUPAC name of 3-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenyl)phenyl]fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine?
The IUPAC name of 3-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenyl)phenyl]fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine (CID 177262564) is 3-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenyl)phenyl]fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine.
What is the SMILES notation for 3-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenyl)phenyl]fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine?
The canonical SMILES for 3-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenyl)phenyl]fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine is C=Cc1ccc(-c2ccc(C3(c4cc(C)ccc4C)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5ccc6c(c5)oc5cc(N(c7ccc(F)cc7)c7ccc8c(c7)C(c7ccc(-c9ccc(C=C)cc9)cc7)(c7cc(C)ccc7C)c7ccccc7-8)ccc56)cc43)cc2)cc1.
What is the InChIKey of 3-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenyl)phenyl]fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine?
The InChIKey is OAQGKZWFLVHSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H68F2N2O/c1-7-63-21-25-65(26-22-63)67-29-33-69(34-30-67)93(87-53-59(3)17-19-61(87)5)85-15-11-9-13-79(85)81-49-45-75(55-89(81)93)97(73-41-37-71(95)38-42-73)77-47-51-83-84-52-48-78(58-92(84)99-91(83)57-77)98(74-43-39-72(96)40-44-74)76-46-50-82-80-14-10-12-16-86(80)94(90(82)56-76,88-54-60(4)18-20-62(88)6)70-35-31-68(32-36-70)66-27-23-64(8-2)24-28-66/h7-58H,1-2H2,3-6H3.
What are the key properties of 3-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenyl)phenyl]fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine?
3-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenyl)phenyl]fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine has a molecular weight of 1279.59 g/mol, XLogP of 25.38, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenyl)phenyl]fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine is sourced from PubChem (CID 177262564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).