(9S)-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-N-[4-(9H-fluoren-3-yl)phenyl]-1-(2-methylphenyl)-9-propyl-9H-fluoren-4-amine

C61H49NS — CID 145355209

IUPAC(9S)-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-N-[4-(9H-fluoren-3-yl)phenyl]-1-(2-methylphenyl)-9-propyl-9H-fluoren-4-amine
SMILESC=Cc1sc2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)-c5ccccc5C6)cc4)c4ccc(-c5ccccc5C)c5c4-c4ccccc4[C@@H]5CCC)cc3)cc2c1/C=C\C
InChIInChI=1S/C61H49NS/c1-5-14-51-56-38-43(28-35-59(56)63-58(51)7-3)41-26-31-47(32-27-41)62(46-29-24-40(25-30-46)42-22-23-45-36-44-17-9-11-19-49(44)55(45)37-42)57-34-33-54(48-18-10-8-16-39(48)4)60-52(15-6-2)50-20-12-13-21-53(50)61(57)60/h5,7-14,16-35,37-38,52H,3,6,15,36H2,1-2,4H3/b14-5-/t52-/m0/s1
InChIKeyFSZSXWBGGIUFTQ-DOVIQYSISA-N
MW828.14 g/mol
LogP17.84
Rot. Bonds10

About (9S)-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-N-[4-(9H-fluoren-3-yl)phenyl]-1-(2-methylphenyl)-9-propyl-9H-fluoren-4-amine

(9S)-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-N-[4-(9H-fluoren-3-yl)phenyl]-1-(2-methylphenyl)-9-propyl-9H-fluoren-4-amine (PubChem CID 145355209) has the molecular formula C61H49NS and a molecular weight of 828.14 g/mol. Its IUPAC name is (9S)-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-N-[4-(9H-fluoren-3-yl)phenyl]-1-(2-methylphenyl)-9-propyl-9H-fluoren-4-amine.

Molecular Properties

Compound Name(9S)-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-N-[4-(9H-fluoren-3-yl)phenyl]-1-(2-methylphenyl)-9-propyl-9H-fluoren-4-amine
PubChem CID145355209
Molecular FormulaC61H49NS
Molecular Weight828.14 g/mol
Exact Mass827.36
IUPAC Name(9S)-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-N-[4-(9H-fluoren-3-yl)phenyl]-1-(2-methylphenyl)-9-propyl-9H-fluoren-4-amine
SMILESC=Cc1sc2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)-c5ccccc5C6)cc4)c4ccc(-c5ccccc5C)c5c4-c4ccccc4[C@@H]5CCC)cc3)cc2c1/C=C\C
InChIInChI=1S/C61H49NS/c1-5-14-51-56-38-43(28-35-59(56)63-58(51)7-3)41-26-31-47(32-27-41)62(46-29-24-40(25-30-46)42-22-23-45-36-44-17-9-11-19-49(44)55(45)37-42)57-34-33-54(48-18-10-8-16-39(48)4)60-52(15-6-2)50-20-12-13-21-53(50)61(57)60/h5,7-14,16-35,37-38,52H,3,6,15,36H2,1-2,4H3/b14-5-/t52-/m0/s1
InChIKeyFSZSXWBGGIUFTQ-DOVIQYSISA-N
XLogP17.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.14
LogP ≤ 517.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (9S)-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-N-[4-(9H-fluoren-3-yl)phenyl]-1-(2-methylphenyl)-9-propyl-9H-fluoren-4-amine with MolForge

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Related Compounds

(9S)-N-[4-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-1-(2-methylphenyl)-N-[4-[3-[(Z)-pent-1-enyl]-1H-inden-5-yl]phenyl]-9-propyl-9H-fluoren-4-amine
CID 145355144
N-(4-dibenzothiophen-3-ylphenyl)-N-(9H-fluoren-3-yl)pentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8(21),9,11,13,15,17-nonaen-11-amine
CID 145354973
4-dibenzothiophen-2-yl-N,N-dimethylaniline;ethene;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene
CID 145067584
2-(2,5-dimethylphenyl)-1,4-dimethylbenzene;ethane;2-ethenyl-5-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144613484
N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-2-ethenyl-N-(4-phenylphenyl)-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-amine
CID 142481355
N-[4-[3-(2-butan-2-ylphenyl)-2-methylphenyl]phenyl]-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-N,2-dimethylaniline;7,7-dimethylfluoreno[4,3-b][1]benzofuran
CID 144578865
4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157436916
3-[3-(2-ethenylphenyl)-4-methylphenyl]-9H-fluorene
CID 145017041
N-[3-methyl-4-(2-methylphenyl)phenyl]-N-[6-(9-phenylcarbazol-3-yl)-9H-fluoren-4-yl]dibenzothiophen-3-amine
CID 145360784
N-[4-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-N-[4-(9H-fluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 156550065
N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine
CID 145354713
ethane;N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine
CID 145354712

Frequently Asked Questions

What is the IUPAC name of (9S)-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-N-[4-(9H-fluoren-3-yl)phenyl]-1-(2-methylphenyl)-9-propyl-9H-fluoren-4-amine?
The IUPAC name of (9S)-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-N-[4-(9H-fluoren-3-yl)phenyl]-1-(2-methylphenyl)-9-propyl-9H-fluoren-4-amine (CID 145355209) is (9S)-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-N-[4-(9H-fluoren-3-yl)phenyl]-1-(2-methylphenyl)-9-propyl-9H-fluoren-4-amine.
What is the SMILES notation for (9S)-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-N-[4-(9H-fluoren-3-yl)phenyl]-1-(2-methylphenyl)-9-propyl-9H-fluoren-4-amine?
The canonical SMILES for (9S)-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-N-[4-(9H-fluoren-3-yl)phenyl]-1-(2-methylphenyl)-9-propyl-9H-fluoren-4-amine is C=Cc1sc2ccc(-c3ccc(N(c4ccc(-c5ccc6c(c5)-c5ccccc5C6)cc4)c4ccc(-c5ccccc5C)c5c4-c4ccccc4[C@@H]5CCC)cc3)cc2c1/C=C\C.
What is the InChIKey of (9S)-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-N-[4-(9H-fluoren-3-yl)phenyl]-1-(2-methylphenyl)-9-propyl-9H-fluoren-4-amine?
The InChIKey is FSZSXWBGGIUFTQ-DOVIQYSISA-N. The full InChI is InChI=1S/C61H49NS/c1-5-14-51-56-38-43(28-35-59(56)63-58(51)7-3)41-26-31-47(32-27-41)62(46-29-24-40(25-30-46)42-22-23-45-36-44-17-9-11-19-49(44)55(45)37-42)57-34-33-54(48-18-10-8-16-39(48)4)60-52(15-6-2)50-20-12-13-21-53(50)61(57)60/h5,7-14,16-35,37-38,52H,3,6,15,36H2,1-2,4H3/b14-5-/t52-/m0/s1.
What are the key properties of (9S)-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-N-[4-(9H-fluoren-3-yl)phenyl]-1-(2-methylphenyl)-9-propyl-9H-fluoren-4-amine?
(9S)-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-N-[4-(9H-fluoren-3-yl)phenyl]-1-(2-methylphenyl)-9-propyl-9H-fluoren-4-amine has a molecular weight of 828.14 g/mol, XLogP of 17.84, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-N-[4-(9H-fluoren-3-yl)phenyl]-1-(2-methylphenyl)-9-propyl-9H-fluoren-4-amine is sourced from PubChem (CID 145355209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).