N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine

C86H70N2S4 — CID 146516748

IUPACN-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine
SMILESC=CCSc1ccc(C2(c3ccc(SCC=C)cc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(C6=CC7C(C=C6)c6ccccc6C7(c6ccc(SCC=C)cc6)c6ccc(SCC=C)cc6)c6ccccc6)cc5)cc4)cc32)cc1
InChIInChI=1S/C86H70N2S4/c1-5-55-89-73-45-31-63(32-46-73)85(64-33-47-74(48-34-64)90-56-6-2)81-25-17-15-23-77(81)79-53-43-71(59-83(79)85)87(67-19-11-9-12-20-67)69-39-27-61(28-40-69)62-29-41-70(42-30-62)88(68-21-13-10-14-22-68)72-44-54-80-78-24-16-18-26-82(78)86(84(80)60-72,65-35-49-75(50-36-65)91-57-7-3)66-37-51-76(52-38-66)92-58-8-4/h5-54,59-60,79,83H,1-4,55-58H2
InChIKeyZIYMDLCDCFDBSD-UHFFFAOYSA-N
MW1259.79 g/mol
LogP23.64
Rot. Bonds23

About N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine

N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine (PubChem CID 146516748) has the molecular formula C86H70N2S4 and a molecular weight of 1259.79 g/mol. Its IUPAC name is N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine
PubChem CID146516748
Molecular FormulaC86H70N2S4
Molecular Weight1259.79 g/mol
Exact Mass1258.44
IUPAC NameN-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine
SMILESC=CCSc1ccc(C2(c3ccc(SCC=C)cc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(C6=CC7C(C=C6)c6ccccc6C7(c6ccc(SCC=C)cc6)c6ccc(SCC=C)cc6)c6ccccc6)cc5)cc4)cc32)cc1
InChIInChI=1S/C86H70N2S4/c1-5-55-89-73-45-31-63(32-46-73)85(64-33-47-74(48-34-64)90-56-6-2)81-25-17-15-23-77(81)79-53-43-71(59-83(79)85)87(67-19-11-9-12-20-67)69-39-27-61(28-40-69)62-29-41-70(42-30-62)88(68-21-13-10-14-22-68)72-44-54-80-78-24-16-18-26-82(78)86(84(80)60-72,65-35-49-75(50-36-65)91-57-7-3)66-37-51-76(52-38-66)92-58-8-4/h5-54,59-60,79,83H,1-4,55-58H2
InChIKeyZIYMDLCDCFDBSD-UHFFFAOYSA-N
XLogP23.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001259.79
LogP ≤ 523.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine with MolForge

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Related Compounds

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
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-[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
9-naphthalen-2-yl-N-[4-[4-(N-[9-naphthalen-2-yl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-propylsulfanylphenyl)fluoren-2-amine
CID 167223781
N,9,9-triphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]-4a,9a-dihydrofluoren-2-amine
CID 174110881
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
N-[4-[4-(N-[9,9-bis(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enoxyphenyl)fluoren-2-amine
CID 146517121
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-[(9,9-diphenylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenylfluoren-2-amine
CID 122448831
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-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 58988737

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine (CID 146516748) is N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine is C=CCSc1ccc(C2(c3ccc(SCC=C)cc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(C6=CC7C(C=C6)c6ccccc6C7(c6ccc(SCC=C)cc6)c6ccc(SCC=C)cc6)c6ccccc6)cc5)cc4)cc32)cc1.
What is the InChIKey of N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine?
The InChIKey is ZIYMDLCDCFDBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H70N2S4/c1-5-55-89-73-45-31-63(32-46-73)85(64-33-47-74(48-34-64)90-56-6-2)81-25-17-15-23-77(81)79-53-43-71(59-83(79)85)87(67-19-11-9-12-20-67)69-39-27-61(28-40-69)62-29-41-70(42-30-62)88(68-21-13-10-14-22-68)72-44-54-80-78-24-16-18-26-82(78)86(84(80)60-72,65-35-49-75(50-36-65)91-57-7-3)66-37-51-76(52-38-66)92-58-8-4/h5-54,59-60,79,83H,1-4,55-58H2.
What are the key properties of N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine?
N-[4-[4-(N-[9,9-bis(4-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine has a molecular weight of 1259.79 g/mol, XLogP of 23.64, 23 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-prop-2-enylsulfanylphenyl)-4a,9a-dihydrofluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9,9-bis(4-prop-2-enylsulfanylphenyl)fluoren-2-amine is sourced from PubChem (CID 146516748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).