(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

C65H61N — CID 145355144

IUPAC(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
SMILESC=CC1=C(/C=C\C)c2cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(/C=C\CCC)=CC6)cc4)c4ccc(-c5ccccc5C)c5c4-c4ccccc4[C@@H]5CCC)cc3)ccc2C1(C)C
InChIInChI=1S/C65H61N/c1-8-12-13-21-46-25-26-47-27-28-48(41-58(46)47)44-29-34-50(35-30-44)66(51-36-31-45(32-37-51)49-33-39-61-59(42-49)54(18-9-2)60(11-4)65(61,6)7)62-40-38-57(52-22-15-14-20-43(52)5)63-55(19-10-3)53-23-16-17-24-56(53)64(62)63/h9,11,13-18,20-25,27-42,55H,4,8,10,12,19,26H2,1-3,5-7H3/b18-9-,21-13-/t55-/m0/s1
InChIKeyWGAQUOHWADYXGX-WJMARZSASA-N
MW856.21 g/mol
LogP18.48
Rot. Bonds13

About (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

(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 (PubChem CID 145355144) has the molecular formula C65H61N and a molecular weight of 856.21 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID145355144
Molecular FormulaC65H61N
Molecular Weight856.21 g/mol
Exact Mass855.48
IUPAC Name(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
SMILESC=CC1=C(/C=C\C)c2cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(/C=C\CCC)=CC6)cc4)c4ccc(-c5ccccc5C)c5c4-c4ccccc4[C@@H]5CCC)cc3)ccc2C1(C)C
InChIInChI=1S/C65H61N/c1-8-12-13-21-46-25-26-47-27-28-48(41-58(46)47)44-29-34-50(35-30-44)66(51-36-31-45(32-37-51)49-33-39-61-59(42-49)54(18-9-2)60(11-4)65(61,6)7)62-40-38-57(52-22-15-14-20-43(52)5)63-55(19-10-3)53-23-16-17-24-56(53)64(62)63/h9,11,13-18,20-25,27-42,55H,4,8,10,12,19,26H2,1-3,5-7H3/b18-9-,21-13-/t55-/m0/s1
InChIKeyWGAQUOHWADYXGX-WJMARZSASA-N
XLogP18.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.21
LogP ≤ 518.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (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 with MolForge

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Related Compounds

(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
ethane;2-ethenyl-3,3-dimethyl-N-[4-(3-methyl-1H-indol-5-yl)phenyl]-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine
CID 145426280
N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 155466781
N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155220965
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-methyl-2,4-bis(2-methylphenyl)aniline
CID 145355207
N-[3-[1,2-bis(ethenyl)-3,3,9,9-tetramethylcyclopenta[b]fluoren-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142540840
10-N-[3-ethenyl-1,1-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-6-N,6-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-6,10-diamine
CID 170058716
N-[4-(9H-carbazol-3-yl)phenyl]-2-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine
CID 145426312
ethane;3-[2-[[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]methyl]phenyl]-9,9-dimethyl-1,2-dihydrofluorene;9-methyl-3-(4-methylphenyl)-9H-fluorene
CID 156827092
1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine
CID 121463230
9,9-dimethyl-N-[4-(4-methyl-3-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine
CID 118487154
N-[4-(3,5-ditert-butylphenyl)phenyl]-N-[4-[5-(3,5-dicyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467178

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=CC1=C(/C=C\C)c2cc(-c3ccc(N(c4ccc(-c5ccc6c(c5)C(/C=C\CCC)=CC6)cc4)c4ccc(-c5ccccc5C)c5c4-c4ccccc4[C@@H]5CCC)cc3)ccc2C1(C)C.
What is the InChIKey of (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?
The InChIKey is WGAQUOHWADYXGX-WJMARZSASA-N. The full InChI is InChI=1S/C65H61N/c1-8-12-13-21-46-25-26-47-27-28-48(41-58(46)47)44-29-34-50(35-30-44)66(51-36-31-45(32-37-51)49-33-39-61-59(42-49)54(18-9-2)60(11-4)65(61,6)7)62-40-38-57(52-22-15-14-20-43(52)5)63-55(19-10-3)53-23-16-17-24-56(53)64(62)63/h9,11,13-18,20-25,27-42,55H,4,8,10,12,19,26H2,1-3,5-7H3/b18-9-,21-13-/t55-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 856.21 g/mol, XLogP of 18.48, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 145355144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).