anisole;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-propylaniline;N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-propylaniline;4-methyl-N-(4-methylphenyl)-N-propylaniline;N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine

C232H204N6O3 — CID 159593314

IUPACanisole;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-propylaniline;N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-propylaniline;4-methyl-N-(4-methylphenyl)-N-propylaniline;N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine
SMILESCCCN(c1ccc(C)cc1)c1ccc(/C=C/c2ccc(C)cc2)cc1.CCCN(c1ccc(C)cc1)c1ccc(C)cc1.CCCN(c1ccc(C)cc1)c1ccc(C=C(c2ccc(C)cc2)c2ccc(C)cc2)cc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.Cc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3c4ccccc4c4c5cccc6cccc(c7cccc3c74)c65)cc2)cc1.Cc1ccc(C(=Cc2ccc(N(c3ccc(C)cc3)c3c4ccccc4c4c5cccc6cccc(c7cccc3c74)c65)cc2)c2ccc(C)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c3c4cccc5cccc(c6cccc2c63)c54)cc1
InChIInChI=1S/C53H39N.C46H33N.C38H27N.C32H33N.C25H27N.C17H21N.3C7H8O/c1-34-17-25-38(26-18-34)49(39-27-19-35(2)20-28-39)33-37-23-31-42(32-24-37)54(41-29-21-36(3)22-30-41)53-46-12-5-4-11-45(46)51-47-15-7-10-40-9-6-13-43(50(40)47)44-14-8-16-48(53)52(44)51;1-30-16-20-32(21-17-30)22-23-33-24-28-36(29-25-33)47(35-26-18-31(2)19-27-35)46-40-11-4-3-10-39(40)44-41-14-6-9-34-8-5-12-37(43(34)41)38-13-7-15-42(46)45(38)44;1-24-16-20-27(21-17-24)39(28-22-18-25(2)19-23-28)38-32-11-4-3-10-31(32)36-33-14-6-9-26-8-5-12-29(35(26)33)30-13-7-15-34(38)37(30)36;1-5-22-33(30-18-10-26(4)11-19-30)31-20-12-27(13-21-31)23-32(28-14-6-24(2)7-15-28)29-16-8-25(3)9-17-29;1-4-19-26(24-15-7-21(3)8-16-24)25-17-13-23(14-18-25)12-11-22-9-5-20(2)6-10-22;1-4-13-18(16-9-5-14(2)6-10-16)17-11-7-15(3)8-12-17;3*1-8-7-5-3-2-4-6-7/h4-33H,1-3H3;3-29H,1-2H3;3-23H,1-2H3;6-21,23H,5,22H2,1-4H3;5-18H,4,19H2,1-3H3;5-12H,4,13H2,1-3H3;3*2-6H,1H3/b;23-22+;;;12-11+;;;;
InChIKeyMKNAARMYMJXENC-INJLDKDASA-N
MW3124.22 g/mol
LogP64.71
Rot. Bonds34

About anisole;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-propylaniline;N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-propylaniline;4-methyl-N-(4-methylphenyl)-N-propylaniline;N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine

anisole;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-propylaniline;N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-propylaniline;4-methyl-N-(4-methylphenyl)-N-propylaniline;N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine (PubChem CID 159593314) has the molecular formula C232H204N6O3 and a molecular weight of 3124.22 g/mol. Its IUPAC name is anisole;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-propylaniline;N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-propylaniline;4-methyl-N-(4-methylphenyl)-N-propylaniline;N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine.

Molecular Properties

Compound Nameanisole;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-propylaniline;N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-propylaniline;4-methyl-N-(4-methylphenyl)-N-propylaniline;N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine
PubChem CID159593314
Molecular FormulaC232H204N6O3
Molecular Weight3124.22 g/mol
Exact Mass3121.60
IUPAC Nameanisole;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-propylaniline;N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-propylaniline;4-methyl-N-(4-methylphenyl)-N-propylaniline;N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine
SMILESCCCN(c1ccc(C)cc1)c1ccc(/C=C/c2ccc(C)cc2)cc1.CCCN(c1ccc(C)cc1)c1ccc(C)cc1.CCCN(c1ccc(C)cc1)c1ccc(C=C(c2ccc(C)cc2)c2ccc(C)cc2)cc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.Cc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3c4ccccc4c4c5cccc6cccc(c7cccc3c74)c65)cc2)cc1.Cc1ccc(C(=Cc2ccc(N(c3ccc(C)cc3)c3c4ccccc4c4c5cccc6cccc(c7cccc3c74)c65)cc2)c2ccc(C)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c3c4cccc5cccc(c6cccc2c63)c54)cc1
InChIInChI=1S/C53H39N.C46H33N.C38H27N.C32H33N.C25H27N.C17H21N.3C7H8O/c1-34-17-25-38(26-18-34)49(39-27-19-35(2)20-28-39)33-37-23-31-42(32-24-37)54(41-29-21-36(3)22-30-41)53-46-12-5-4-11-45(46)51-47-15-7-10-40-9-6-13-43(50(40)47)44-14-8-16-48(53)52(44)51;1-30-16-20-32(21-17-30)22-23-33-24-28-36(29-25-33)47(35-26-18-31(2)19-27-35)46-40-11-4-3-10-39(40)44-41-14-6-9-34-8-5-12-37(43(34)41)38-13-7-15-42(46)45(38)44;1-24-16-20-27(21-17-24)39(28-22-18-25(2)19-23-28)38-32-11-4-3-10-31(32)36-33-14-6-9-26-8-5-12-29(35(26)33)30-13-7-15-34(38)37(30)36;1-5-22-33(30-18-10-26(4)11-19-30)31-20-12-27(13-21-31)23-32(28-14-6-24(2)7-15-28)29-16-8-25(3)9-17-29;1-4-19-26(24-15-7-21(3)8-16-24)25-17-13-23(14-18-25)12-11-22-9-5-20(2)6-10-22;1-4-13-18(16-9-5-14(2)6-10-16)17-11-7-15(3)8-12-17;3*1-8-7-5-3-2-4-6-7/h4-33H,1-3H3;3-29H,1-2H3;3-23H,1-2H3;6-21,23H,5,22H2,1-4H3;5-18H,4,19H2,1-3H3;5-12H,4,13H2,1-3H3;3*2-6H,1H3/b;23-22+;;;12-11+;;;;
InChIKeyMKNAARMYMJXENC-INJLDKDASA-N
XLogP64.71
TPSA47.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds34
Heavy Atoms241
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003124.22
LogP ≤ 564.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze anisole;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-propylaniline;N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-propylaniline;4-methyl-N-(4-methylphenyl)-N-propylaniline;N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine with MolForge

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Related Compounds

9-N,22-N-bis(4-methylphenyl)-9-N,22-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]heptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(26),2(28),3,5,7,9,11,13,15(27),16,18,20,22,24-tetradecaene-9,22-diamine;9-N,20-N-bis(4-methylphenyl)-9-N,20-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine;9-N,9-N,20-N-tris(4-methylphenyl)-20-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine
CID 158909704
N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine
CID 20733629
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)octacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6,8,10(30),11(27),12,14(28),15,17,19(29),20,22,24-pentadecaen-5-amine
CID 20733595
9-N,9-N,20-N-tris(4-methylphenyl)-20-N-[4-[(E)-2-phenylethenyl]phenyl]octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene-9,20-diamine
CID 20733622
N-[4-(2,2-diphenylethenyl)phenyl]-4-[(E)-2-(4-methoxyphenyl)ethenyl]-N-phenylaniline
CID 59935129
N,N,N',N'-tetrakis[4-[4-[2-(4-methylphenyl)-1-phenylethenyl]phenyl]phenyl]ethane-1,2-diamine
CID 142720916
N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 54214278
4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 163788418
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]-N-[4-[4-(N-[4-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 163442886
N-[4-[(E)-2-[4-[(E)-2-[4-[N-(2,6-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,6-dimethylaniline
CID 131974098
N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[2-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159829697

Frequently Asked Questions

What is the IUPAC name of anisole;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-propylaniline;N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-propylaniline;4-methyl-N-(4-methylphenyl)-N-propylaniline;N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine?
The IUPAC name of anisole;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-propylaniline;N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-propylaniline;4-methyl-N-(4-methylphenyl)-N-propylaniline;N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine (CID 159593314) is anisole;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-propylaniline;N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-propylaniline;4-methyl-N-(4-methylphenyl)-N-propylaniline;N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine.
What is the SMILES notation for anisole;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-propylaniline;N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-propylaniline;4-methyl-N-(4-methylphenyl)-N-propylaniline;N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine?
The canonical SMILES for anisole;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-propylaniline;N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-propylaniline;4-methyl-N-(4-methylphenyl)-N-propylaniline;N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine is CCCN(c1ccc(C)cc1)c1ccc(/C=C/c2ccc(C)cc2)cc1.CCCN(c1ccc(C)cc1)c1ccc(C)cc1.CCCN(c1ccc(C)cc1)c1ccc(C=C(c2ccc(C)cc2)c2ccc(C)cc2)cc1.COc1ccccc1.COc1ccccc1.COc1ccccc1.Cc1ccc(/C=C/c2ccc(N(c3ccc(C)cc3)c3c4ccccc4c4c5cccc6cccc(c7cccc3c74)c65)cc2)cc1.Cc1ccc(C(=Cc2ccc(N(c3ccc(C)cc3)c3c4ccccc4c4c5cccc6cccc(c7cccc3c74)c65)cc2)c2ccc(C)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c3c4cccc5cccc(c6cccc2c63)c54)cc1.
What is the InChIKey of anisole;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-propylaniline;N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-propylaniline;4-methyl-N-(4-methylphenyl)-N-propylaniline;N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine?
The InChIKey is MKNAARMYMJXENC-INJLDKDASA-N. The full InChI is InChI=1S/C53H39N.C46H33N.C38H27N.C32H33N.C25H27N.C17H21N.3C7H8O/c1-34-17-25-38(26-18-34)49(39-27-19-35(2)20-28-39)33-37-23-31-42(32-24-37)54(41-29-21-36(3)22-30-41)53-46-12-5-4-11-45(46)51-47-15-7-10-40-9-6-13-43(50(40)47)44-14-8-16-48(53)52(44)51;1-30-16-20-32(21-17-30)22-23-33-24-28-36(29-25-33)47(35-26-18-31(2)19-27-35)46-40-11-4-3-10-39(40)44-41-14-6-9-34-8-5-12-37(43(34)41)38-13-7-15-42(46)45(38)44;1-24-16-20-27(21-17-24)39(28-22-18-25(2)19-23-28)38-32-11-4-3-10-31(32)36-33-14-6-9-26-8-5-12-29(35(26)33)30-13-7-15-34(38)37(30)36;1-5-22-33(30-18-10-26(4)11-19-30)31-20-12-27(13-21-31)23-32(28-14-6-24(2)7-15-28)29-16-8-25(3)9-17-29;1-4-19-26(24-15-7-21(3)8-16-24)25-17-13-23(14-18-25)12-11-22-9-5-20(2)6-10-22;1-4-13-18(16-9-5-14(2)6-10-16)17-11-7-15(3)8-12-17;3*1-8-7-5-3-2-4-6-7/h4-33H,1-3H3;3-29H,1-2H3;3-23H,1-2H3;6-21,23H,5,22H2,1-4H3;5-18H,4,19H2,1-3H3;5-12H,4,13H2,1-3H3;3*2-6H,1H3/b;23-22+;;;12-11+;;;;.
What are the key properties of anisole;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-propylaniline;N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-propylaniline;4-methyl-N-(4-methylphenyl)-N-propylaniline;N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine?
anisole;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-propylaniline;N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-propylaniline;4-methyl-N-(4-methylphenyl)-N-propylaniline;N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine has a molecular weight of 3124.22 g/mol, XLogP of 64.71, 34 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-propylaniline;N,N-bis(4-methylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine;4-methyl-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-propylaniline;4-methyl-N-(4-methylphenyl)-N-propylaniline;N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaen-8-amine is sourced from PubChem (CID 159593314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).