5-(1,3-benzothiazol-2-yl)-10,10,15,15-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-[7-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5-(1-ethoxyethenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;4-methyl-N-[4-[2-[4-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;2,5,8,11-tetratert-butylperylene;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine

C316H287N13O7S — CID 157458731

IUPAC5-(1,3-benzothiazol-2-yl)-10,10,15,15-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-[7-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5-(1-ethoxyethenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;4-methyl-N-[4-[2-[4-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;2,5,8,11-tetratert-butylperylene;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
SMILESC=C(OCC)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3.CC(C)(C)c1cc2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c(c1)c23)c54.CC1(C)Cc2c3c(cc4cc(-c5nc6ccccc6s5)c(=O)oc24)C(C)(C)CCN3C1.CCn1c2ccccc2c2cc(/C=C/c3ccc(-c4ccc(/C=C/c5ccc6c(c5)c5ccccc5n6CC)cc4)cc3)ccc21.Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc23)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3ccc(-c4ccc(C=Cc5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.Cc1cccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6cc(N(c8ccccc8)c8cccc(C)c8)ccc6-7)ccc4-5)ccc2-3)c1.Cn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3C
InChIInChI=1S/C71H60N2.C56H48N2.C44H36N2.C42H36N2.C36H44.C26H26N2O2S.C22H16N2O2.C19H21NO3/c1-45-17-15-23-53(37-45)72(51-19-11-9-12-20-51)55-29-35-61-59-33-27-49(41-65(59)70(5,6)67(61)43-55)47-25-31-57-58-32-26-48(40-64(58)69(3,4)63(57)39-47)50-28-34-60-62-36-30-56(44-68(62)71(7,8)66(60)42-50)73(52-21-13-10-14-22-52)54-24-16-18-46(2)38-54;1-41-5-29-51(30-6-41)57(52-31-7-42(2)8-32-52)55-37-21-47(22-38-55)15-13-45-17-25-49(26-18-45)50-27-19-46(20-28-50)14-16-48-23-39-56(40-24-48)58(53-33-9-43(3)10-34-53)54-35-11-44(4)12-36-54;1-3-45-41-11-7-5-9-37(41)39-29-33(21-27-43(39)45)15-13-31-17-23-35(24-18-31)36-25-19-32(20-26-36)14-16-34-22-28-44-40(30-34)38-10-6-8-12-42(38)46(44)4-2;1-29-13-21-33(22-14-29)43(34-23-15-30(2)16-24-34)41-37-9-5-7-11-39(37)42(40-12-8-6-10-38(40)41)44(35-25-17-31(3)18-26-35)36-27-19-32(4)20-28-36;1-33(2,3)23-13-21-14-24(34(4,5)6)19-29-30-20-26(36(10,11)12)16-22-15-25(35(7,8)9)18-28(32(22)30)27(17-23)31(21)29;1-25(2)13-17-21-18(26(3,4)9-10-28(21)14-25)12-15-11-16(24(29)30-22(15)17)23-27-19-7-5-6-8-20(19)31-23;1-23-17-9-5-3-7-13(17)21(25)15-12-20-16(11-19(15)23)22(26)14-8-4-6-10-18(14)24(20)2;1-3-22-12(2)16-11-14-10-13-6-4-8-20-9-5-7-15(17(13)20)18(14)23-19(16)21/h9-44H,1-8H3;5-40H,1-4H3;5-30H,3-4H2,1-2H3;5-28H,1-4H3;13-20H,1-12H3;5-8,11-12H,9-10,13-14H2,1-4H3;3-12H,1-2H3;10-11H,2-9H2,1H3/b;;15-13+,16-14+;;;;;
InChIKeyBTRATQZAXVILSL-VTVOKCAVSA-N
MW4410.92 g/mol
LogP83.74
Rot. Bonds36

About 5-(1,3-benzothiazol-2-yl)-10,10,15,15-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-[7-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5-(1-ethoxyethenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;4-methyl-N-[4-[2-[4-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;2,5,8,11-tetratert-butylperylene;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine

5-(1,3-benzothiazol-2-yl)-10,10,15,15-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-[7-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5-(1-ethoxyethenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;4-methyl-N-[4-[2-[4-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;2,5,8,11-tetratert-butylperylene;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine (PubChem CID 157458731) has the molecular formula C316H287N13O7S and a molecular weight of 4410.92 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-10,10,15,15-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-[7-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5-(1-ethoxyethenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;4-methyl-N-[4-[2-[4-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;2,5,8,11-tetratert-butylperylene;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-10,10,15,15-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-[7-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5-(1-ethoxyethenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;4-methyl-N-[4-[2-[4-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;2,5,8,11-tetratert-butylperylene;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
PubChem CID157458731
Molecular FormulaC316H287N13O7S
Molecular Weight4410.92 g/mol
Exact Mass4407.22
IUPAC Name5-(1,3-benzothiazol-2-yl)-10,10,15,15-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-[7-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5-(1-ethoxyethenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;4-methyl-N-[4-[2-[4-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;2,5,8,11-tetratert-butylperylene;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine
SMILESC=C(OCC)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3.CC(C)(C)c1cc2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c(c1)c23)c54.CC1(C)Cc2c3c(cc4cc(-c5nc6ccccc6s5)c(=O)oc24)C(C)(C)CCN3C1.CCn1c2ccccc2c2cc(/C=C/c3ccc(-c4ccc(/C=C/c5ccc6c(c5)c5ccccc5n6CC)cc4)cc3)ccc21.Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc23)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3ccc(-c4ccc(C=Cc5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.Cc1cccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6cc(N(c8ccccc8)c8cccc(C)c8)ccc6-7)ccc4-5)ccc2-3)c1.Cn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3C
InChIInChI=1S/C71H60N2.C56H48N2.C44H36N2.C42H36N2.C36H44.C26H26N2O2S.C22H16N2O2.C19H21NO3/c1-45-17-15-23-53(37-45)72(51-19-11-9-12-20-51)55-29-35-61-59-33-27-49(41-65(59)70(5,6)67(61)43-55)47-25-31-57-58-32-26-48(40-64(58)69(3,4)63(57)39-47)50-28-34-60-62-36-30-56(44-68(62)71(7,8)66(60)42-50)73(52-21-13-10-14-22-52)54-24-16-18-46(2)38-54;1-41-5-29-51(30-6-41)57(52-31-7-42(2)8-32-52)55-37-21-47(22-38-55)15-13-45-17-25-49(26-18-45)50-27-19-46(20-28-50)14-16-48-23-39-56(40-24-48)58(53-33-9-43(3)10-34-53)54-35-11-44(4)12-36-54;1-3-45-41-11-7-5-9-37(41)39-29-33(21-27-43(39)45)15-13-31-17-23-35(24-18-31)36-25-19-32(20-26-36)14-16-34-22-28-44-40(30-34)38-10-6-8-12-42(38)46(44)4-2;1-29-13-21-33(22-14-29)43(34-23-15-30(2)16-24-34)41-37-9-5-7-11-39(37)42(40-12-8-6-10-38(40)41)44(35-25-17-31(3)18-26-35)36-27-19-32(4)20-28-36;1-33(2,3)23-13-21-14-24(34(4,5)6)19-29-30-20-26(36(10,11)12)16-22-15-25(35(7,8)9)18-28(32(22)30)27(17-23)31(21)29;1-25(2)13-17-21-18(26(3,4)9-10-28(21)14-25)12-15-11-16(24(29)30-22(15)17)23-27-19-7-5-6-8-20(19)31-23;1-23-17-9-5-3-7-13(17)21(25)15-12-20-16(11-19(15)23)22(26)14-8-4-6-10-18(14)24(20)2;1-3-22-12(2)16-11-14-10-13-6-4-8-20-9-5-7-15(17(13)20)18(14)23-19(16)21/h9-44H,1-8H3;5-40H,1-4H3;5-30H,3-4H2,1-2H3;5-28H,1-4H3;13-20H,1-12H3;5-8,11-12H,9-10,13-14H2,1-4H3;3-12H,1-2H3;10-11H,2-9H2,1H3/b;;15-13+,16-14+;;;;;
InChIKeyBTRATQZAXVILSL-VTVOKCAVSA-N
XLogP83.74
TPSA162.32 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds36
Heavy Atoms337
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004410.92
LogP ≤ 583.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 5-(1,3-benzothiazol-2-yl)-10,10,15,15-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-[7-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5-(1-ethoxyethenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;4-methyl-N-[4-[2-[4-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;2,5,8,11-tetratert-butylperylene;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-10,10,15,15-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-[7-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5-(1-ethoxyethenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;4-methyl-N-[4-[2-[4-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;2,5,8,11-tetratert-butylperylene;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-10,10,15,15-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-[7-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5-(1-ethoxyethenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;4-methyl-N-[4-[2-[4-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;2,5,8,11-tetratert-butylperylene;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine (CID 157458731) is 5-(1,3-benzothiazol-2-yl)-10,10,15,15-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-[7-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5-(1-ethoxyethenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;4-methyl-N-[4-[2-[4-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;2,5,8,11-tetratert-butylperylene;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-10,10,15,15-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-[7-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5-(1-ethoxyethenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;4-methyl-N-[4-[2-[4-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;2,5,8,11-tetratert-butylperylene;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-10,10,15,15-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-[7-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5-(1-ethoxyethenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;4-methyl-N-[4-[2-[4-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;2,5,8,11-tetratert-butylperylene;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine is C=C(OCC)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3.CC(C)(C)c1cc2cc(C(C)(C)C)cc3c4cc(C(C)(C)C)cc5cc(C(C)(C)C)cc(c(c1)c23)c54.CC1(C)Cc2c3c(cc4cc(-c5nc6ccccc6s5)c(=O)oc24)C(C)(C)CCN3C1.CCn1c2ccccc2c2cc(/C=C/c3ccc(-c4ccc(/C=C/c5ccc6c(c5)c5ccccc5n6CC)cc4)cc3)ccc21.Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc23)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3ccc(-c4ccc(C=Cc5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.Cc1cccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6cc(N(c8ccccc8)c8cccc(C)c8)ccc6-7)ccc4-5)ccc2-3)c1.Cn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3C.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-10,10,15,15-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-[7-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5-(1-ethoxyethenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;4-methyl-N-[4-[2-[4-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;2,5,8,11-tetratert-butylperylene;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine?
The InChIKey is BTRATQZAXVILSL-VTVOKCAVSA-N. The full InChI is InChI=1S/C71H60N2.C56H48N2.C44H36N2.C42H36N2.C36H44.C26H26N2O2S.C22H16N2O2.C19H21NO3/c1-45-17-15-23-53(37-45)72(51-19-11-9-12-20-51)55-29-35-61-59-33-27-49(41-65(59)70(5,6)67(61)43-55)47-25-31-57-58-32-26-48(40-64(58)69(3,4)63(57)39-47)50-28-34-60-62-36-30-56(44-68(62)71(7,8)66(60)42-50)73(52-21-13-10-14-22-52)54-24-16-18-46(2)38-54;1-41-5-29-51(30-6-41)57(52-31-7-42(2)8-32-52)55-37-21-47(22-38-55)15-13-45-17-25-49(26-18-45)50-27-19-46(20-28-50)14-16-48-23-39-56(40-24-48)58(53-33-9-43(3)10-34-53)54-35-11-44(4)12-36-54;1-3-45-41-11-7-5-9-37(41)39-29-33(21-27-43(39)45)15-13-31-17-23-35(24-18-31)36-25-19-32(20-26-36)14-16-34-22-28-44-40(30-34)38-10-6-8-12-42(38)46(44)4-2;1-29-13-21-33(22-14-29)43(34-23-15-30(2)16-24-34)41-37-9-5-7-11-39(37)42(40-12-8-6-10-38(40)41)44(35-25-17-31(3)18-26-35)36-27-19-32(4)20-28-36;1-33(2,3)23-13-21-14-24(34(4,5)6)19-29-30-20-26(36(10,11)12)16-22-15-25(35(7,8)9)18-28(32(22)30)27(17-23)31(21)29;1-25(2)13-17-21-18(26(3,4)9-10-28(21)14-25)12-15-11-16(24(29)30-22(15)17)23-27-19-7-5-6-8-20(19)31-23;1-23-17-9-5-3-7-13(17)21(25)15-12-20-16(11-19(15)23)22(26)14-8-4-6-10-18(14)24(20)2;1-3-22-12(2)16-11-14-10-13-6-4-8-20-9-5-7-15(17(13)20)18(14)23-19(16)21/h9-44H,1-8H3;5-40H,1-4H3;5-30H,3-4H2,1-2H3;5-28H,1-4H3;13-20H,1-12H3;5-8,11-12H,9-10,13-14H2,1-4H3;3-12H,1-2H3;10-11H,2-9H2,1H3/b;;15-13+,16-14+;;;;;.
What are the key properties of 5-(1,3-benzothiazol-2-yl)-10,10,15,15-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-[7-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5-(1-ethoxyethenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;4-methyl-N-[4-[2-[4-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;2,5,8,11-tetratert-butylperylene;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine?
5-(1,3-benzothiazol-2-yl)-10,10,15,15-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-[7-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5-(1-ethoxyethenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;4-methyl-N-[4-[2-[4-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;2,5,8,11-tetratert-butylperylene;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine has a molecular weight of 4410.92 g/mol, XLogP of 83.74, 36 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-10,10,15,15-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-[7-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5-(1-ethoxyethenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-ethyl-3-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;4-methyl-N-[4-[2-[4-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;2,5,8,11-tetratert-butylperylene;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine is sourced from PubChem (CID 157458731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).