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

C106H74F4N2O3 — CID 177262614

IUPAC3-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
SMILESC=Cc1ccc(Oc2ccc(C3(c4cc(C)ccc4C)c4ccccc4-c4ccc(-c5cccc(N(c6ccc(F)c(F)c6)c6ccc7c(c6)oc6cc(N(c8cccc(-c9ccc%10c(c9)C(c9ccc(Oc%11ccc(C=C)cc%11)cc9)(c9cc(C)ccc9C)c9ccccc9-%10)c8)c8ccc(F)c(F)c8)ccc67)c5)cc43)cc2)cc1
InChIInChI=1S/C106H74F4N2O3/c1-7-69-27-41-83(42-28-69)113-85-45-33-75(34-46-85)105(95-55-65(3)23-25-67(95)5)93-21-11-9-19-87(93)89-49-31-73(59-97(89)105)71-15-13-17-77(57-71)111(79-39-53-99(107)101(109)61-79)81-37-51-91-92-52-38-82(64-104(92)115-103(91)63-81)112(80-40-54-100(108)102(110)62-80)78-18-14-16-72(58-78)74-32-50-90-88-20-10-12-22-94(88)106(98(90)60-74,96-56-66(4)24-26-68(96)6)76-35-47-86(48-36-76)114-84-43-29-70(8-2)30-44-84/h7-64H,1-2H2,3-6H3
InChIKeyLTQYHRSHYFRYLM-UHFFFAOYSA-N
MW1499.76 g/mol
LogP29.25
Rot. Bonds18

About 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

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 (PubChem CID 177262614) has the molecular formula C106H74F4N2O3 and a molecular weight of 1499.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID177262614
Molecular FormulaC106H74F4N2O3
Molecular Weight1499.76 g/mol
Exact Mass1498.56
IUPAC Name3-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
SMILESC=Cc1ccc(Oc2ccc(C3(c4cc(C)ccc4C)c4ccccc4-c4ccc(-c5cccc(N(c6ccc(F)c(F)c6)c6ccc7c(c6)oc6cc(N(c8cccc(-c9ccc%10c(c9)C(c9ccc(Oc%11ccc(C=C)cc%11)cc9)(c9cc(C)ccc9C)c9ccccc9-%10)c8)c8ccc(F)c(F)c8)ccc67)c5)cc43)cc2)cc1
InChIInChI=1S/C106H74F4N2O3/c1-7-69-27-41-83(42-28-69)113-85-45-33-75(34-46-85)105(95-55-65(3)23-25-67(95)5)93-21-11-9-19-87(93)89-49-31-73(59-97(89)105)71-15-13-17-77(57-71)111(79-39-53-99(107)101(109)61-79)81-37-51-91-92-52-38-82(64-104(92)115-103(91)63-81)112(80-40-54-100(108)102(110)62-80)78-18-14-16-72(58-78)74-32-50-90-88-20-10-12-22-94(88)106(98(90)60-74,96-56-66(4)24-26-68(96)6)76-35-47-86(48-36-76)114-84-43-29-70(8-2)30-44-84/h7-64H,1-2H2,3-6H3
InChIKeyLTQYHRSHYFRYLM-UHFFFAOYSA-N
XLogP29.25
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001499.76
LogP ≤ 529.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
3-N,7-N-bis[3-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine
CID 177262599
3-N,7-N-bis[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-3-N,7-N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-3,7-diamine
CID 177262648
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[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
N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,5,6-tetrafluorophenyl)fluoren-2-yl]dibenzofuran-3-amine
CID 169286422
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
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
9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-phenylfluoren-2-amine;9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-phenylfluoren-2-amine;9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-methylphenyl)-N-phenylfluoren-2-amine;9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]anilino)phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 160550559
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,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
9-(3,4-difluorophenyl)-N-[4-[4-(N-[(9R)-9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluoro-3-methylphenyl)fluoren-2-amine
CID 170292085

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1ccc(Oc2ccc(C3(c4cc(C)ccc4C)c4ccccc4-c4ccc(-c5cccc(N(c6ccc(F)c(F)c6)c6ccc7c(c6)oc6cc(N(c8cccc(-c9ccc%10c(c9)C(c9ccc(Oc%11ccc(C=C)cc%11)cc9)(c9cc(C)ccc9C)c9ccccc9-%10)c8)c8ccc(F)c(F)c8)ccc67)c5)cc43)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is LTQYHRSHYFRYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H74F4N2O3/c1-7-69-27-41-83(42-28-69)113-85-45-33-75(34-46-85)105(95-55-65(3)23-25-67(95)5)93-21-11-9-19-87(93)89-49-31-73(59-97(89)105)71-15-13-17-77(57-71)111(79-39-53-99(107)101(109)61-79)81-37-51-91-92-52-38-82(64-104(92)115-103(91)63-81)112(80-40-54-100(108)102(110)62-80)78-18-14-16-72(58-78)74-32-50-90-88-20-10-12-22-94(88)106(98(90)60-74,96-56-66(4)24-26-68(96)6)76-35-47-86(48-36-76)114-84-43-29-70(8-2)30-44-84/h7-64H,1-2H2,3-6H3.
What are the key properties of 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?
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 has a molecular weight of 1499.76 g/mol, XLogP of 29.25, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177262614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).