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

C110H86N2S4 — CID 153277334

IUPACN-[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
SMILESC=Cc1ccc(CSc2ccc(C3(c4ccc(SCc5ccc(C=C)cc5)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccc(SCc9ccc(C=C)cc9)cc7)(c7ccc(SCc9ccc(CC)cc9)cc7)c7ccccc7-8)cc6)cc5)cc43)cc2)cc1
InChIInChI=1S/C110H86N2S4/c1-5-77-27-35-81(36-28-77)73-113-97-61-47-87(48-62-97)109(88-49-63-98(64-50-88)114-74-82-37-29-78(6-2)30-38-82)105-25-17-15-23-101(105)103-69-59-95(71-107(103)109)111(91-19-11-9-12-20-91)93-55-43-85(44-56-93)86-45-57-94(58-46-86)112(92-21-13-10-14-22-92)96-60-70-104-102-24-16-18-26-106(102)110(108(104)72-96,89-51-65-99(66-52-89)115-75-83-39-31-79(7-3)32-40-83)90-53-67-100(68-54-90)116-76-84-41-33-80(8-4)34-42-84/h5-7,9-72H,1-3,8,73-76H2,4H3
InChIKeyCNQLWMNSANVJAQ-UHFFFAOYSA-N
MW1564.18 g/mol
LogP30.68
Rot. Bonds27

About 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

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 (PubChem CID 153277334) has the molecular formula C110H86N2S4 and a molecular weight of 1564.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID153277334
Molecular FormulaC110H86N2S4
Molecular Weight1564.18 g/mol
Exact Mass1562.57
IUPAC NameN-[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
SMILESC=Cc1ccc(CSc2ccc(C3(c4ccc(SCc5ccc(C=C)cc5)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccc(SCc9ccc(C=C)cc9)cc7)(c7ccc(SCc9ccc(CC)cc9)cc7)c7ccccc7-8)cc6)cc5)cc43)cc2)cc1
InChIInChI=1S/C110H86N2S4/c1-5-77-27-35-81(36-28-77)73-113-97-61-47-87(48-62-97)109(88-49-63-98(64-50-88)114-74-82-37-29-78(6-2)30-38-82)105-25-17-15-23-101(105)103-69-59-95(71-107(103)109)111(91-19-11-9-12-20-91)93-55-43-85(44-56-93)86-45-57-94(58-46-86)112(92-21-13-10-14-22-92)96-60-70-104-102-24-16-18-26-106(102)110(108(104)72-96,89-51-65-99(66-52-89)115-75-83-39-31-79(7-3)32-40-83)90-53-67-100(68-54-90)116-76-84-41-33-80(8-4)34-42-84/h5-7,9-72H,1-3,8,73-76H2,4H3
InChIKeyCNQLWMNSANVJAQ-UHFFFAOYSA-N
XLogP30.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001564.18
LogP ≤ 530.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 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-[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
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
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
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-[4-(4-ethenylphenyl)sulfanylphenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenyl)sulfanylphenyl]-9-phenylfluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 146516601
N-[4-[4-(N-[7,9-diphenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N,7,9-triphenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[9-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine
CID 159221502
N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-[4-[(E)-3-[4-[2-(N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]anilino)-9-(4-prop-2-enylsulfanylphenyl)fluoren-9-yl]phenyl]sulfanylprop-1-enyl]phenyl]-9-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine
CID 166662876
2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine
CID 172546940
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
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-2-N,2-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 153313800

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1ccc(CSc2ccc(C3(c4ccc(SCc5ccc(C=C)cc5)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccc(SCc9ccc(C=C)cc9)cc7)(c7ccc(SCc9ccc(CC)cc9)cc7)c7ccccc7-8)cc6)cc5)cc43)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is CNQLWMNSANVJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C110H86N2S4/c1-5-77-27-35-81(36-28-77)73-113-97-61-47-87(48-62-97)109(88-49-63-98(64-50-88)114-74-82-37-29-78(6-2)30-38-82)105-25-17-15-23-101(105)103-69-59-95(71-107(103)109)111(91-19-11-9-12-20-91)93-55-43-85(44-56-93)86-45-57-94(58-46-86)112(92-21-13-10-14-22-92)96-60-70-104-102-24-16-18-26-106(102)110(108(104)72-96,89-51-65-99(66-52-89)115-75-83-39-31-79(7-3)32-40-83)90-53-67-100(68-54-90)116-76-84-41-33-80(8-4)34-42-84/h5-7,9-72H,1-3,8,73-76H2,4H3.
What are the key properties of 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?
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 has a molecular weight of 1564.18 g/mol, XLogP of 30.68, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 153277334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).