9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine

C104H76N2O2S2 — CID 146516537

IUPAC9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine
SMILESC=Cc1ccc(CSc2ccc(C3(c4ccc(Oc5ccccc5)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccc(Oc9ccccc9)cc7)(c7ccc(SCc9ccc(C=C)cc9)cc7)c7ccccc7-8)cc6)cc5)cc43)cc2)cc1
InChIInChI=1S/C104H76N2O2S2/c1-3-73-33-37-75(38-34-73)71-109-93-63-49-81(50-64-93)103(79-45-59-91(60-46-79)107-89-25-13-7-14-26-89)99-31-19-17-29-95(99)97-67-57-87(69-101(97)103)105(83-21-9-5-10-22-83)85-53-41-77(42-54-85)78-43-55-86(56-44-78)106(84-23-11-6-12-24-84)88-58-68-98-96-30-18-20-32-100(96)104(102(98)70-88,80-47-61-92(62-48-80)108-90-27-15-8-16-28-90)82-51-65-94(66-52-82)110-72-76-39-35-74(4-2)36-40-76/h3-70H,1-2,71-72H2
InChIKeyGTLQGHFFWYQIOJ-UHFFFAOYSA-N
MW1449.90 g/mol
LogP28.47
Rot. Bonds23

About 9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine

9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine (PubChem CID 146516537) has the molecular formula C104H76N2O2S2 and a molecular weight of 1449.90 g/mol. Its IUPAC name is 9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine
PubChem CID146516537
Molecular FormulaC104H76N2O2S2
Molecular Weight1449.90 g/mol
Exact Mass1448.53
IUPAC Name9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine
SMILESC=Cc1ccc(CSc2ccc(C3(c4ccc(Oc5ccccc5)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccc(Oc9ccccc9)cc7)(c7ccc(SCc9ccc(C=C)cc9)cc7)c7ccccc7-8)cc6)cc5)cc43)cc2)cc1
InChIInChI=1S/C104H76N2O2S2/c1-3-73-33-37-75(38-34-73)71-109-93-63-49-81(50-64-93)103(79-45-59-91(60-46-79)107-89-25-13-7-14-26-89)99-31-19-17-29-95(99)97-67-57-87(69-101(97)103)105(83-21-9-5-10-22-83)85-53-41-77(42-54-85)78-43-55-86(56-44-78)106(84-23-11-6-12-24-84)88-58-68-98-96-30-18-20-32-100(96)104(102(98)70-88,80-47-61-92(62-48-80)108-90-27-15-8-16-28-90)82-51-65-94(66-52-82)110-72-76-39-35-74(4-2)36-40-76/h3-70H,1-2,71-72H2
InChIKeyGTLQGHFFWYQIOJ-UHFFFAOYSA-N
XLogP28.47
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001449.90
LogP ≤ 528.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine with MolForge

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Related Compounds

N-[4-[4-(N-[9,9-bis[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9,9-bis[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-N-phenylfluoren-2-amine;N-[4-[4-(N-[9,9-bis[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-N,9-diphenylfluoren-2-amine;9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-(4-methoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-methoxyphenyl)-N-phenylfluoren-2-amine
CID 161206984
N-[4-[4-(N-[9,9-bis[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-[4-[(4-ethylphenyl)methylsulfanyl]phenyl]-N-phenylfluoren-2-amine
CID 153277334
N-[4-[4-(N-[9,9-bis[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-N,9-diphenylfluoren-2-amine;N-[4-[4-(N-[9,9-bis[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-[4-[(4-ethylphenyl)methylsulfanyl]phenyl]-N-phenylfluoren-2-amine;9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-(4-methoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-methoxyphenyl)-N-phenylfluoren-2-amine
CID 157270231
9-(4-phenoxyphenyl)-N-[4-[4-(N-[9-(4-phenoxyphenyl)-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine
CID 146517163
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
2-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]anilino)phenyl]phenyl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine
CID 172547070
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
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
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-N,9-bis(3-fluorophenyl)fluoren-2-amine
CID 169295042
9-[4-[(4-ethenylphenyl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-(4-methoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-ethylphenyl)-N-phenylfluoren-2-amine
CID 162040719
9-(2,5-difluorophenyl)-N-[9-(2,5-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 167160912

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine?
The IUPAC name of 9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine (CID 146516537) is 9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine.
What is the SMILES notation for 9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine?
The canonical SMILES for 9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine is C=Cc1ccc(CSc2ccc(C3(c4ccc(Oc5ccccc5)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccc(Oc9ccccc9)cc7)(c7ccc(SCc9ccc(C=C)cc9)cc7)c7ccccc7-8)cc6)cc5)cc43)cc2)cc1.
What is the InChIKey of 9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine?
The InChIKey is GTLQGHFFWYQIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H76N2O2S2/c1-3-73-33-37-75(38-34-73)71-109-93-63-49-81(50-64-93)103(79-45-59-91(60-46-79)107-89-25-13-7-14-26-89)99-31-19-17-29-95(99)97-67-57-87(69-101(97)103)105(83-21-9-5-10-22-83)85-53-41-77(42-54-85)78-43-55-86(56-44-78)106(84-23-11-6-12-24-84)88-58-68-98-96-30-18-20-32-100(96)104(102(98)70-88,80-47-61-92(62-48-80)108-90-27-15-8-16-28-90)82-51-65-94(66-52-82)110-72-76-39-35-74(4-2)36-40-76/h3-70H,1-2,71-72H2.
What are the key properties of 9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine?
9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine has a molecular weight of 1449.90 g/mol, XLogP of 28.47, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(4-ethenylphenyl)methylsulfanyl]phenyl]-9-(4-phenoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-phenoxyphenyl)-N-phenylfluoren-2-amine is sourced from PubChem (CID 146516537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).