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

C114H76F2N2O3 — CID 177262708

IUPAC2-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
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc(-c6cccc(-c7ccccc7)c6)cc5)c5ccc6oc7ccc(N(c8ccc(-c9cccc(-c%10ccccc%10)c9)cc8)c8ccc9c(c8)C(c8ccc(F)cc8)(c8ccc(Oc%10ccc(C=C)cc%10)cc8)c8ccccc8-9)cc7c6c5)cc43)cc2)cc1
InChIInChI=1S/C114H76F2N2O3/c1-3-75-29-57-97(58-30-75)119-99-61-41-87(42-62-99)113(85-37-45-89(115)46-38-85)107-27-13-11-25-101(107)103-65-53-95(73-109(103)113)117(91-49-33-79(34-50-91)83-23-15-21-81(69-83)77-17-7-5-8-18-77)93-55-67-111-105(71-93)106-72-94(56-68-112(106)121-111)118(92-51-35-80(36-52-92)84-24-16-22-82(70-84)78-19-9-6-10-20-78)96-54-66-104-102-26-12-14-28-108(102)114(110(104)74-96,86-39-47-90(116)48-40-86)88-43-63-100(64-44-88)120-98-59-31-76(4-2)32-60-98/h3-74H,1-2H2
InChIKeyIZKLPERGVRYDAI-UHFFFAOYSA-N
MW1559.87 g/mol
LogP31.07
Rot. Bonds20

About 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

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 (PubChem CID 177262708) has the molecular formula C114H76F2N2O3 and a molecular weight of 1559.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID177262708
Molecular FormulaC114H76F2N2O3
Molecular Weight1559.87 g/mol
Exact Mass1558.58
IUPAC Name2-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
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc(-c6cccc(-c7ccccc7)c6)cc5)c5ccc6oc7ccc(N(c8ccc(-c9cccc(-c%10ccccc%10)c9)cc8)c8ccc9c(c8)C(c8ccc(F)cc8)(c8ccc(Oc%10ccc(C=C)cc%10)cc8)c8ccccc8-9)cc7c6c5)cc43)cc2)cc1
InChIInChI=1S/C114H76F2N2O3/c1-3-75-29-57-97(58-30-75)119-99-61-41-87(42-62-99)113(85-37-45-89(115)46-38-85)107-27-13-11-25-101(107)103-65-53-95(73-109(103)113)117(91-49-33-79(34-50-91)83-23-15-21-81(69-83)77-17-7-5-8-18-77)93-55-67-111-105(71-93)106-72-94(56-68-112(106)121-111)118(92-51-35-80(36-52-92)84-24-16-22-82(70-84)78-19-9-6-10-20-78)96-54-66-104-102-26-12-14-28-108(102)114(110(104)74-96,86-39-47-90(116)48-40-86)88-43-63-100(64-44-88)120-98-59-31-76(4-2)32-60-98/h3-74H,1-2H2
InChIKeyIZKLPERGVRYDAI-UHFFFAOYSA-N
XLogP31.07
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001559.87
LogP ≤ 531.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine
CID 166686283
2-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2-N,9-N-bis(4-fluorophenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine
CID 177262839
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-[4-[4-[9-[4-[4-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)anilino]phenyl]fluoren-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]phenyl]-N,9-bis(4-fluorophenyl)fluoren-2-amine
CID 172547006
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
N-[4-[4-[dibenzofuran-2-yl-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]amino]phenyl]phenyl]-N-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]dibenzofuran-2-amine
CID 170413578
9-(2,6-difluorophenyl)-N-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[3-(4-fluorophenyl)phenyl]phenyl]fluoren-2-amine
CID 170541530
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-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 170541545
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[3-[9-[3-(N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]anilino)phenyl]fluoren-9-yl]phenyl]anilino)phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 172547054
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc(-c6cccc(-c7ccccc7)c6)cc5)c5ccc6oc7ccc(N(c8ccc(-c9cccc(-c%10ccccc%10)c9)cc8)c8ccc9c(c8)C(c8ccc(F)cc8)(c8ccc(Oc%10ccc(C=C)cc%10)cc8)c8ccccc8-9)cc7c6c5)cc43)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is IZKLPERGVRYDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H76F2N2O3/c1-3-75-29-57-97(58-30-75)119-99-61-41-87(42-62-99)113(85-37-45-89(115)46-38-85)107-27-13-11-25-101(107)103-65-53-95(73-109(103)113)117(91-49-33-79(34-50-91)83-23-15-21-81(69-83)77-17-7-5-8-18-77)93-55-67-111-105(71-93)106-72-94(56-68-112(106)121-111)118(92-51-35-80(36-52-92)84-24-16-22-82(70-84)78-19-9-6-10-20-78)96-54-66-104-102-26-12-14-28-108(102)114(110(104)74-96,86-39-47-90(116)48-40-86)88-43-63-100(64-44-88)120-98-59-31-76(4-2)32-60-98/h3-74H,1-2H2.
What are the key properties of 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?
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 has a molecular weight of 1559.87 g/mol, XLogP of 31.07, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177262708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).