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

C94H62F2N2O3 — CID 177262839

IUPAC2-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
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5ccc6cc7oc8ccc(N(c9ccc(F)cc9)c9ccc%10c(c9)C(c9ccccc9)(c9ccc(Oc%11ccc(C=C)cc%11)cc9)c9ccccc9-%10)cc8c7cc6c5)cc43)cc2)cc1
InChIInChI=1S/C94H62F2N2O3/c1-3-61-23-44-77(45-24-61)99-79-48-28-67(29-49-79)93(65-15-7-5-8-16-65)87-21-13-11-19-81(87)83-52-41-75(59-89(83)93)97(71-37-32-69(95)33-38-71)73-36-27-63-57-92-85(56-64(63)55-73)86-58-74(43-54-91(86)101-92)98(72-39-34-70(96)35-40-72)76-42-53-84-82-20-12-14-22-88(82)94(90(84)60-76,66-17-9-6-10-18-66)68-30-50-80(51-31-68)100-78-46-25-62(4-2)26-47-78/h3-60H,1-2H2
InChIKeyDNOCQBWLKRAVNR-UHFFFAOYSA-N
MW1305.54 g/mol
LogP25.55
Rot. Bonds16

About 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

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 (PubChem CID 177262839) has the molecular formula C94H62F2N2O3 and a molecular weight of 1305.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID177262839
Molecular FormulaC94H62F2N2O3
Molecular Weight1305.54 g/mol
Exact Mass1304.47
IUPAC Name2-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
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5ccc6cc7oc8ccc(N(c9ccc(F)cc9)c9ccc%10c(c9)C(c9ccccc9)(c9ccc(Oc%11ccc(C=C)cc%11)cc9)c9ccccc9-%10)cc8c7cc6c5)cc43)cc2)cc1
InChIInChI=1S/C94H62F2N2O3/c1-3-61-23-44-77(45-24-61)99-79-48-28-67(29-49-79)93(65-15-7-5-8-16-65)87-21-13-11-19-81(87)83-52-41-75(59-89(83)93)97(71-37-32-69(95)33-38-71)73-36-27-63-57-92-85(56-64(63)55-73)86-58-74(43-54-91(86)101-92)98(72-39-34-70(96)35-40-72)76-42-53-84-82-20-12-14-22-88(82)94(90(84)60-76,66-17-9-6-10-18-66)68-30-50-80(51-31-68)100-78-46-25-62(4-2)26-47-78/h3-60H,1-2H2
InChIKeyDNOCQBWLKRAVNR-UHFFFAOYSA-N
XLogP25.55
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001305.54
LogP ≤ 525.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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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
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
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
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-[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
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
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
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
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
3-N,7-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzothiophene-3,7-diamine
CID 177262791
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1ccc(Oc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5ccc6cc7oc8ccc(N(c9ccc(F)cc9)c9ccc%10c(c9)C(c9ccccc9)(c9ccc(Oc%11ccc(C=C)cc%11)cc9)c9ccccc9-%10)cc8c7cc6c5)cc43)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is DNOCQBWLKRAVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H62F2N2O3/c1-3-61-23-44-77(45-24-61)99-79-48-28-67(29-49-79)93(65-15-7-5-8-16-65)87-21-13-11-19-81(87)83-52-41-75(59-89(83)93)97(71-37-32-69(95)33-38-71)73-36-27-63-57-92-85(56-64(63)55-73)86-58-74(43-54-91(86)101-92)98(72-39-34-70(96)35-40-72)76-42-53-84-82-20-12-14-22-88(82)94(90(84)60-76,66-17-9-6-10-18-66)68-30-50-80(51-31-68)100-78-46-25-62(4-2)26-47-78/h3-60H,1-2H2.
What are the key properties of 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?
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 has a molecular weight of 1305.54 g/mol, XLogP of 25.55, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177262839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).