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

C94H66F4N2O — CID 177262610

IUPAC3-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
SMILESC=Cc1ccc(C2(c3ccc(F)cc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)oc4cc(N(c6ccc7c(c6)C(c6ccc(F)cc6)(c6ccc(C=C)cc6)c6ccccc6-7)c6cc(C)c(-c7ccc(F)cc7)cc6C)ccc45)c4cc(C)c(-c5ccc(F)cc5)cc4C)cc32)cc1
InChIInChI=1S/C94H66F4N2O/c1-7-61-17-25-65(26-18-61)93(67-29-37-71(97)38-30-67)85-15-11-9-13-77(85)79-45-41-73(53-87(79)93)99(89-51-57(3)83(49-59(89)5)63-21-33-69(95)34-22-63)75-43-47-81-82-48-44-76(56-92(82)101-91(81)55-75)100(90-52-58(4)84(50-60(90)6)64-23-35-70(96)36-24-64)74-42-46-80-78-14-10-12-16-86(78)94(88(80)54-74,68-31-39-72(98)40-32-68)66-27-19-62(8-2)20-28-66/h7-56H,1-2H2,3-6H3
InChIKeyUSMSYTJAJMIHHB-UHFFFAOYSA-N
MW1315.57 g/mol
LogP25.66
Rot. Bonds14

About 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

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 (PubChem CID 177262610) has the molecular formula C94H66F4N2O and a molecular weight of 1315.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID177262610
Molecular FormulaC94H66F4N2O
Molecular Weight1315.57 g/mol
Exact Mass1314.51
IUPAC Name3-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
SMILESC=Cc1ccc(C2(c3ccc(F)cc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)oc4cc(N(c6ccc7c(c6)C(c6ccc(F)cc6)(c6ccc(C=C)cc6)c6ccccc6-7)c6cc(C)c(-c7ccc(F)cc7)cc6C)ccc45)c4cc(C)c(-c5ccc(F)cc5)cc4C)cc32)cc1
InChIInChI=1S/C94H66F4N2O/c1-7-61-17-25-65(26-18-61)93(67-29-37-71(97)38-30-67)85-15-11-9-13-77(85)79-45-41-73(53-87(79)93)99(89-51-57(3)83(49-59(89)5)63-21-33-69(95)34-22-63)75-43-47-81-82-48-44-76(56-92(82)101-91(81)55-75)100(90-52-58(4)84(50-60(90)6)64-23-35-70(96)36-24-64)74-42-46-80-78-14-10-12-16-86(78)94(88(80)54-74,68-31-39-72(98)40-32-68)66-27-19-62(8-2)20-28-66/h7-56H,1-2H2,3-6H3
InChIKeyUSMSYTJAJMIHHB-UHFFFAOYSA-N
XLogP25.66
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001315.57
LogP ≤ 525.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 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
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-(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[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
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-4-yl)-2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 172539045
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
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
8-N,22-N-bis(9,9-diphenylfluoren-2-yl)-8-N,22-N-bis(4-fluorophenyl)-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 165026586
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
1-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,9-N-diphenyldibenzofuran-1,9-diamine
CID 177262874
2-N,8-N-bis[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)dibenzofuran-2,8-diamine
CID 177262831

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1ccc(C2(c3ccc(F)cc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)oc4cc(N(c6ccc7c(c6)C(c6ccc(F)cc6)(c6ccc(C=C)cc6)c6ccccc6-7)c6cc(C)c(-c7ccc(F)cc7)cc6C)ccc45)c4cc(C)c(-c5ccc(F)cc5)cc4C)cc32)cc1.
What is the InChIKey of 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?
The InChIKey is USMSYTJAJMIHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H66F4N2O/c1-7-61-17-25-65(26-18-61)93(67-29-37-71(97)38-30-67)85-15-11-9-13-77(85)79-45-41-73(53-87(79)93)99(89-51-57(3)83(49-59(89)5)63-21-33-69(95)34-22-63)75-43-47-81-82-48-44-76(56-92(82)101-91(81)55-75)100(90-52-58(4)84(50-60(90)6)64-23-35-70(96)36-24-64)74-42-46-80-78-14-10-12-16-86(78)94(88(80)54-74,68-31-39-72(98)40-32-68)66-27-19-62(8-2)20-28-66/h7-56H,1-2H2,3-6H3.
What are the key properties of 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?
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 has a molecular weight of 1315.57 g/mol, XLogP of 25.66, 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-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-3-N,7-N-bis[4-(4-fluorophenyl)-2,5-dimethylphenyl]dibenzofuran-3,7-diamine is sourced from PubChem (CID 177262610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).