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

C110H84F2N2O3 — CID 177262599

IUPAC3-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
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccc(-c5cccc(N(c6ccc(F)cc6)c6ccc7c(c6)oc6cc(N(c8ccc(F)cc8)c8cccc(-c9ccc%10c(c9)C(c9ccc(Oc%11ccc(C=C)cc%11)cc9)(c9ccc(C(C)(C)C)cc9)c9ccccc9-%10)c8)ccc67)c5)cc43)cc2)cc1
InChIInChI=1S/C110H84F2N2O3/c1-9-71-25-53-91(54-26-71)115-93-57-39-81(40-58-93)109(79-35-31-77(32-36-79)107(3,4)5)101-23-13-11-21-95(101)97-61-29-75(67-103(97)109)73-17-15-19-87(65-73)113(85-47-43-83(111)44-48-85)89-51-63-99-100-64-52-90(70-106(100)117-105(99)69-89)114(86-49-45-84(112)46-50-86)88-20-16-18-74(66-88)76-30-62-98-96-22-12-14-24-102(96)110(104(98)68-76,80-37-33-78(34-38-80)108(6,7)8)82-41-59-94(60-42-82)116-92-55-27-72(10-2)28-56-92/h9-70H,1-2H2,3-8H3
InChIKeyDKPVHTFCGFUKFW-UHFFFAOYSA-N
MW1519.89 g/mol
LogP30.33
Rot. Bonds18

About 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

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 (PubChem CID 177262599) has the molecular formula C110H84F2N2O3 and a molecular weight of 1519.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID177262599
Molecular FormulaC110H84F2N2O3
Molecular Weight1519.89 g/mol
Exact Mass1518.65
IUPAC Name3-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
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccc(-c5cccc(N(c6ccc(F)cc6)c6ccc7c(c6)oc6cc(N(c8ccc(F)cc8)c8cccc(-c9ccc%10c(c9)C(c9ccc(Oc%11ccc(C=C)cc%11)cc9)(c9ccc(C(C)(C)C)cc9)c9ccccc9-%10)c8)ccc67)c5)cc43)cc2)cc1
InChIInChI=1S/C110H84F2N2O3/c1-9-71-25-53-91(54-26-71)115-93-57-39-81(40-58-93)109(79-35-31-77(32-36-79)107(3,4)5)101-23-13-11-21-95(101)97-61-29-75(67-103(97)109)73-17-15-19-87(65-73)113(85-47-43-83(111)44-48-85)89-51-63-99-100-64-52-90(70-106(100)117-105(99)69-89)114(86-49-45-84(112)46-50-86)88-20-16-18-74(66-88)76-30-62-98-96-22-12-14-24-102(96)110(104(98)68-76,80-37-33-78(34-38-80)108(6,7)8)82-41-59-94(60-42-82)116-92-55-27-72(10-2)28-56-92/h9-70H,1-2H2,3-8H3
InChIKeyDKPVHTFCGFUKFW-UHFFFAOYSA-N
XLogP30.33
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001519.89
LogP ≤ 530.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
9-(4-tert-butylphenyl)-N-[4-[4-[N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine
CID 166686240
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-(3-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 172546982
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-(2,3,4,6-tetrafluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine
CID 172547057
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
2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,8-N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-2,8-diamine
CID 177262708
4-[4-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-N-[4-(2,4-difluorophenyl)phenyl]anilino]phenyl]-N-[4-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]-N-[4-(2,4-difluorophenyl)phenyl]aniline
CID 166686325
N-(3-dibenzofuran-1-ylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9-(4-fluorophenyl)fluoren-2-amine
CID 169286497
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,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine
CID 177262645

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1ccc(Oc2ccc(C3(c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccc(-c5cccc(N(c6ccc(F)cc6)c6ccc7c(c6)oc6cc(N(c8ccc(F)cc8)c8cccc(-c9ccc%10c(c9)C(c9ccc(Oc%11ccc(C=C)cc%11)cc9)(c9ccc(C(C)(C)C)cc9)c9ccccc9-%10)c8)ccc67)c5)cc43)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is DKPVHTFCGFUKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H84F2N2O3/c1-9-71-25-53-91(54-26-71)115-93-57-39-81(40-58-93)109(79-35-31-77(32-36-79)107(3,4)5)101-23-13-11-21-95(101)97-61-29-75(67-103(97)109)73-17-15-19-87(65-73)113(85-47-43-83(111)44-48-85)89-51-63-99-100-64-52-90(70-106(100)117-105(99)69-89)114(86-49-45-84(112)46-50-86)88-20-16-18-74(66-88)76-30-62-98-96-22-12-14-24-102(96)110(104(98)68-76,80-37-33-78(34-38-80)108(6,7)8)82-41-59-94(60-42-82)116-92-55-27-72(10-2)28-56-92/h9-70H,1-2H2,3-8H3.
What are the key properties of 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?
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 has a molecular weight of 1519.89 g/mol, XLogP of 30.33, 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-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine is sourced from PubChem (CID 177262599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).