2-N'-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2-fluoro-6-methylphenyl)fluoren-2-yl]-2-N,2-N'-bis(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine

C136H85F3N2O4 — CID 176819387

IUPAC2-N'-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2-fluoro-6-methylphenyl)fluoren-2-yl]-2-N,2-N'-bis(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
SMILESC=Cc1ccc(Oc2ccc(C3(c4c(C)cccc4F)c4ccccc4-c4ccc(N(c5ccc(-c6ccc7oc8cc9ccccc9cc8c7c6)cc5)c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-c6ccc(N(c7ccc(-c8ccc9oc%10cc%11ccccc%11cc%10c9c8)cc7)c7ccc8c(c7)C(c7ccc(Oc9ccc(C=C)cc9)cc7)(c7c(F)cccc7F)c7ccccc7-8)cc65)cc43)cc2)cc1
InChIInChI=1S/C136H85F3N2O4/c1-4-83-36-58-101(59-37-83)142-103-62-46-93(47-63-103)134(132-82(3)20-18-33-125(132)137)117-29-14-10-25-105(117)109-66-54-97(78-121(109)134)140(95-50-40-85(41-51-95)91-44-70-128-113(74-91)115-72-87-21-6-8-23-89(87)76-130(115)144-128)99-56-68-111-107-27-12-16-31-119(107)136(123(111)80-99)120-32-17-13-28-108(120)112-69-57-100(81-124(112)136)141(96-52-42-86(43-53-96)92-45-71-129-114(75-92)116-73-88-22-7-9-24-90(88)77-131(116)145-129)98-55-67-110-106-26-11-15-30-118(106)135(122(110)79-98,133-126(138)34-19-35-127(133)139)94-48-64-104(65-49-94)143-102-60-38-84(5-2)39-61-102/h4-81H,1-2H2,3H3
InChIKeyOVKKSZDEBJFELA-UHFFFAOYSA-N
MW1868.18 g/mol
LogP36.73
Rot. Bonds18

About 2-N'-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2-fluoro-6-methylphenyl)fluoren-2-yl]-2-N,2-N'-bis(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine

2-N'-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2-fluoro-6-methylphenyl)fluoren-2-yl]-2-N,2-N'-bis(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine (PubChem CID 176819387) has the molecular formula C136H85F3N2O4 and a molecular weight of 1868.18 g/mol. Its IUPAC name is 2-N'-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2-fluoro-6-methylphenyl)fluoren-2-yl]-2-N,2-N'-bis(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine.

Molecular Properties

Compound Name2-N'-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2-fluoro-6-methylphenyl)fluoren-2-yl]-2-N,2-N'-bis(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
PubChem CID176819387
Molecular FormulaC136H85F3N2O4
Molecular Weight1868.18 g/mol
Exact Mass1866.65
IUPAC Name2-N'-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2-fluoro-6-methylphenyl)fluoren-2-yl]-2-N,2-N'-bis(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
SMILESC=Cc1ccc(Oc2ccc(C3(c4c(C)cccc4F)c4ccccc4-c4ccc(N(c5ccc(-c6ccc7oc8cc9ccccc9cc8c7c6)cc5)c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-c6ccc(N(c7ccc(-c8ccc9oc%10cc%11ccccc%11cc%10c9c8)cc7)c7ccc8c(c7)C(c7ccc(Oc9ccc(C=C)cc9)cc7)(c7c(F)cccc7F)c7ccccc7-8)cc65)cc43)cc2)cc1
InChIInChI=1S/C136H85F3N2O4/c1-4-83-36-58-101(59-37-83)142-103-62-46-93(47-63-103)134(132-82(3)20-18-33-125(132)137)117-29-14-10-25-105(117)109-66-54-97(78-121(109)134)140(95-50-40-85(41-51-95)91-44-70-128-113(74-91)115-72-87-21-6-8-23-89(87)76-130(115)144-128)99-56-68-111-107-27-12-16-31-119(107)136(123(111)80-99)120-32-17-13-28-108(120)112-69-57-100(81-124(112)136)141(96-52-42-86(43-53-96)92-45-71-129-114(75-92)116-73-88-22-7-9-24-90(88)77-131(116)145-129)98-55-67-110-106-26-11-15-30-118(106)135(122(110)79-98,133-126(138)34-19-35-127(133)139)94-48-64-104(65-49-94)143-102-60-38-84(5-2)39-61-102/h4-81H,1-2H2,3H3
InChIKeyOVKKSZDEBJFELA-UHFFFAOYSA-N
XLogP36.73
TPSA51.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001868.18
LogP ≤ 536.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-N'-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2-fluoro-6-methylphenyl)fluoren-2-yl]-2-N,2-N'-bis(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine with MolForge

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Related Compounds

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-(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-(2,6-difluorophenyl)-N-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 170541591
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
9-(2,6-difluorophenyl)-N-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine
CID 167160935
9-(2,6-difluorophenyl)-N-[4-[4-[N-[9-(2,6-difluorophenyl)-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 169294879
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[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
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
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
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
N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,5,6-tetrafluorophenyl)fluoren-2-yl]dibenzofuran-3-amine
CID 169286422

Frequently Asked Questions

What is the IUPAC name of 2-N'-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2-fluoro-6-methylphenyl)fluoren-2-yl]-2-N,2-N'-bis(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine?
The IUPAC name of 2-N'-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2-fluoro-6-methylphenyl)fluoren-2-yl]-2-N,2-N'-bis(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine (CID 176819387) is 2-N'-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2-fluoro-6-methylphenyl)fluoren-2-yl]-2-N,2-N'-bis(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine.
What is the SMILES notation for 2-N'-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2-fluoro-6-methylphenyl)fluoren-2-yl]-2-N,2-N'-bis(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine?
The canonical SMILES for 2-N'-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2-fluoro-6-methylphenyl)fluoren-2-yl]-2-N,2-N'-bis(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine is C=Cc1ccc(Oc2ccc(C3(c4c(C)cccc4F)c4ccccc4-c4ccc(N(c5ccc(-c6ccc7oc8cc9ccccc9cc8c7c6)cc5)c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-c6ccc(N(c7ccc(-c8ccc9oc%10cc%11ccccc%11cc%10c9c8)cc7)c7ccc8c(c7)C(c7ccc(Oc9ccc(C=C)cc9)cc7)(c7c(F)cccc7F)c7ccccc7-8)cc65)cc43)cc2)cc1.
What is the InChIKey of 2-N'-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2-fluoro-6-methylphenyl)fluoren-2-yl]-2-N,2-N'-bis(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine?
The InChIKey is OVKKSZDEBJFELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C136H85F3N2O4/c1-4-83-36-58-101(59-37-83)142-103-62-46-93(47-63-103)134(132-82(3)20-18-33-125(132)137)117-29-14-10-25-105(117)109-66-54-97(78-121(109)134)140(95-50-40-85(41-51-95)91-44-70-128-113(74-91)115-72-87-21-6-8-23-89(87)76-130(115)144-128)99-56-68-111-107-27-12-16-31-119(107)136(123(111)80-99)120-32-17-13-28-108(120)112-69-57-100(81-124(112)136)141(96-52-42-86(43-53-96)92-45-71-129-114(75-92)116-73-88-22-7-9-24-90(88)77-131(116)145-129)98-55-67-110-106-26-11-15-30-118(106)135(122(110)79-98,133-126(138)34-19-35-127(133)139)94-48-64-104(65-49-94)143-102-60-38-84(5-2)39-61-102/h4-81H,1-2H2,3H3.
What are the key properties of 2-N'-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2-fluoro-6-methylphenyl)fluoren-2-yl]-2-N,2-N'-bis(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine?
2-N'-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2-fluoro-6-methylphenyl)fluoren-2-yl]-2-N,2-N'-bis(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine has a molecular weight of 1868.18 g/mol, XLogP of 36.73, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2-fluoro-6-methylphenyl)fluoren-2-yl]-2-N,2-N'-bis(4-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine is sourced from PubChem (CID 176819387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).