9-(3,4-difluorophenyl)-N-[4-[4-[4-[9-[4-[4-[4-(N-[9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoroanilino)phenyl]-N-(4-fluorophenyl)anilino]phenyl]xanthen-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluorophenyl)fluoren-2-amine

C139H90F8N4O3 — CID 172546937

IUPAC9-(3,4-difluorophenyl)-N-[4-[4-[4-[9-[4-[4-[4-(N-[9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoroanilino)phenyl]-N-(4-fluorophenyl)anilino]phenyl]xanthen-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluorophenyl)fluoren-2-amine
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccc(F)c(F)c4)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5ccc(-c6ccc(N(c7ccc(F)cc7)c7ccc(C8(c9ccc(N(c%10ccc(F)cc%10)c%10ccc(-c%11ccc(N(c%12ccc(F)cc%12)c%12ccc%13c(c%12)C(c%12ccc(Oc%14ccc(C=C)cc%14)cc%12)(c%12ccc(F)c(F)c%12)c%12ccccc%12-%13)cc%11)cc%10)cc9)c9ccccc9Oc9ccccc98)cc7)cc6)cc5)cc43)cc2)cc1
InChIInChI=1S/C139H90F8N4O3/c1-3-89-21-73-117(74-22-89)152-119-77-37-97(38-78-119)138(99-41-83-131(144)133(146)85-99)125-15-7-5-13-121(125)123-81-71-115(87-129(123)138)150(113-67-47-103(142)48-68-113)107-55-29-93(30-56-107)91-25-51-105(52-26-91)148(111-63-43-101(140)44-64-111)109-59-33-95(34-60-109)137(127-17-9-11-19-135(127)154-136-20-12-10-18-128(136)137)96-35-61-110(62-36-96)149(112-65-45-102(141)46-66-112)106-53-27-92(28-54-106)94-31-57-108(58-32-94)151(114-69-49-104(143)50-70-114)116-72-82-124-122-14-6-8-16-126(122)139(130(124)88-116,100-42-84-132(145)134(147)86-100)98-39-79-120(80-40-98)153-118-75-23-90(4-2)24-76-118/h3-88H,1-2H2
InChIKeyWLWKTBHFRQDUBP-UHFFFAOYSA-N
MW2016.26 g/mol
LogP38.10
Rot. Bonds26

About 9-(3,4-difluorophenyl)-N-[4-[4-[4-[9-[4-[4-[4-(N-[9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoroanilino)phenyl]-N-(4-fluorophenyl)anilino]phenyl]xanthen-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluorophenyl)fluoren-2-amine

9-(3,4-difluorophenyl)-N-[4-[4-[4-[9-[4-[4-[4-(N-[9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoroanilino)phenyl]-N-(4-fluorophenyl)anilino]phenyl]xanthen-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluorophenyl)fluoren-2-amine (PubChem CID 172546937) has the molecular formula C139H90F8N4O3 and a molecular weight of 2016.26 g/mol. Its IUPAC name is 9-(3,4-difluorophenyl)-N-[4-[4-[4-[9-[4-[4-[4-(N-[9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoroanilino)phenyl]-N-(4-fluorophenyl)anilino]phenyl]xanthen-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluorophenyl)fluoren-2-amine.

Molecular Properties

Compound Name9-(3,4-difluorophenyl)-N-[4-[4-[4-[9-[4-[4-[4-(N-[9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoroanilino)phenyl]-N-(4-fluorophenyl)anilino]phenyl]xanthen-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluorophenyl)fluoren-2-amine
PubChem CID172546937
Molecular FormulaC139H90F8N4O3
Molecular Weight2016.26 g/mol
Exact Mass2014.69
IUPAC Name9-(3,4-difluorophenyl)-N-[4-[4-[4-[9-[4-[4-[4-(N-[9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoroanilino)phenyl]-N-(4-fluorophenyl)anilino]phenyl]xanthen-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluorophenyl)fluoren-2-amine
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccc(F)c(F)c4)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5ccc(-c6ccc(N(c7ccc(F)cc7)c7ccc(C8(c9ccc(N(c%10ccc(F)cc%10)c%10ccc(-c%11ccc(N(c%12ccc(F)cc%12)c%12ccc%13c(c%12)C(c%12ccc(Oc%14ccc(C=C)cc%14)cc%12)(c%12ccc(F)c(F)c%12)c%12ccccc%12-%13)cc%11)cc%10)cc9)c9ccccc9Oc9ccccc98)cc7)cc6)cc5)cc43)cc2)cc1
InChIInChI=1S/C139H90F8N4O3/c1-3-89-21-73-117(74-22-89)152-119-77-37-97(38-78-119)138(99-41-83-131(144)133(146)85-99)125-15-7-5-13-121(125)123-81-71-115(87-129(123)138)150(113-67-47-103(142)48-68-113)107-55-29-93(30-56-107)91-25-51-105(52-26-91)148(111-63-43-101(140)44-64-111)109-59-33-95(34-60-109)137(127-17-9-11-19-135(127)154-136-20-12-10-18-128(136)137)96-35-61-110(62-36-96)149(112-65-45-102(141)46-66-112)106-53-27-92(28-54-106)94-31-57-108(58-32-94)151(114-69-49-104(143)50-70-114)116-72-82-124-122-14-6-8-16-126(122)139(130(124)88-116,100-42-84-132(145)134(147)86-100)98-39-79-120(80-40-98)153-118-75-23-90(4-2)24-76-118/h3-88H,1-2H2
InChIKeyWLWKTBHFRQDUBP-UHFFFAOYSA-N
XLogP38.10
TPSA40.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms154
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002016.26
LogP ≤ 538.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-(3,4-difluorophenyl)-N-[4-[4-[4-[9-[4-[4-[4-(N-[9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoroanilino)phenyl]-N-(4-fluorophenyl)anilino]phenyl]xanthen-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluorophenyl)fluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(3,4-difluorophenyl)-N-[4-[4-[4-[9-[4-[4-[4-(N-[9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoroanilino)phenyl]-N-(4-fluorophenyl)anilino]phenyl]xanthen-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluorophenyl)fluoren-2-amine?
The IUPAC name of 9-(3,4-difluorophenyl)-N-[4-[4-[4-[9-[4-[4-[4-(N-[9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoroanilino)phenyl]-N-(4-fluorophenyl)anilino]phenyl]xanthen-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluorophenyl)fluoren-2-amine (CID 172546937) is 9-(3,4-difluorophenyl)-N-[4-[4-[4-[9-[4-[4-[4-(N-[9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoroanilino)phenyl]-N-(4-fluorophenyl)anilino]phenyl]xanthen-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluorophenyl)fluoren-2-amine.
What is the SMILES notation for 9-(3,4-difluorophenyl)-N-[4-[4-[4-[9-[4-[4-[4-(N-[9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoroanilino)phenyl]-N-(4-fluorophenyl)anilino]phenyl]xanthen-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluorophenyl)fluoren-2-amine?
The canonical SMILES for 9-(3,4-difluorophenyl)-N-[4-[4-[4-[9-[4-[4-[4-(N-[9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoroanilino)phenyl]-N-(4-fluorophenyl)anilino]phenyl]xanthen-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluorophenyl)fluoren-2-amine is C=Cc1ccc(Oc2ccc(C3(c4ccc(F)c(F)c4)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5ccc(-c6ccc(N(c7ccc(F)cc7)c7ccc(C8(c9ccc(N(c%10ccc(F)cc%10)c%10ccc(-c%11ccc(N(c%12ccc(F)cc%12)c%12ccc%13c(c%12)C(c%12ccc(Oc%14ccc(C=C)cc%14)cc%12)(c%12ccc(F)c(F)c%12)c%12ccccc%12-%13)cc%11)cc%10)cc9)c9ccccc9Oc9ccccc98)cc7)cc6)cc5)cc43)cc2)cc1.
What is the InChIKey of 9-(3,4-difluorophenyl)-N-[4-[4-[4-[9-[4-[4-[4-(N-[9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoroanilino)phenyl]-N-(4-fluorophenyl)anilino]phenyl]xanthen-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluorophenyl)fluoren-2-amine?
The InChIKey is WLWKTBHFRQDUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C139H90F8N4O3/c1-3-89-21-73-117(74-22-89)152-119-77-37-97(38-78-119)138(99-41-83-131(144)133(146)85-99)125-15-7-5-13-121(125)123-81-71-115(87-129(123)138)150(113-67-47-103(142)48-68-113)107-55-29-93(30-56-107)91-25-51-105(52-26-91)148(111-63-43-101(140)44-64-111)109-59-33-95(34-60-109)137(127-17-9-11-19-135(127)154-136-20-12-10-18-128(136)137)96-35-61-110(62-36-96)149(112-65-45-102(141)46-66-112)106-53-27-92(28-54-106)94-31-57-108(58-32-94)151(114-69-49-104(143)50-70-114)116-72-82-124-122-14-6-8-16-126(122)139(130(124)88-116,100-42-84-132(145)134(147)86-100)98-39-79-120(80-40-98)153-118-75-23-90(4-2)24-76-118/h3-88H,1-2H2.
What are the key properties of 9-(3,4-difluorophenyl)-N-[4-[4-[4-[9-[4-[4-[4-(N-[9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoroanilino)phenyl]-N-(4-fluorophenyl)anilino]phenyl]xanthen-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluorophenyl)fluoren-2-amine?
9-(3,4-difluorophenyl)-N-[4-[4-[4-[9-[4-[4-[4-(N-[9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoroanilino)phenyl]-N-(4-fluorophenyl)anilino]phenyl]xanthen-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluorophenyl)fluoren-2-amine has a molecular weight of 2016.26 g/mol, XLogP of 38.10, 26 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-difluorophenyl)-N-[4-[4-[4-[9-[4-[4-[4-(N-[9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoroanilino)phenyl]-N-(4-fluorophenyl)anilino]phenyl]xanthen-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluorophenyl)fluoren-2-amine is sourced from PubChem (CID 172546937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).