5-(1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;N-(6-methoxynaphthalen-2-yl)-10-[10-(N-(6-methoxynaphthalen-2-yl)-4-methylanilino)anthracen-9-yl]-N-(4-methylphenyl)anthracen-9-amine;10-[10-(4-methyl-N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)anthracen-9-amine;9-N,9-N,10-N,10-N-tetrakis(2-methylphenyl)anthracene-9,10-diamine

C258H206N12O6S — CID 158407980

About 5-(1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;N-(6-methoxynaphthalen-2-yl)-10-[10-(N-(6-methoxynaphthalen-2-yl)-4-methylanilino)anthracen-9-yl]-N-(4-methylphenyl)anthracen-9-amine;10-[10-(4-methyl-N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)anthracen-9-amine;9-N,9-N,10-N,10-N-tetrakis(2-methylphenyl)anthracene-9,10-diamine

5-(1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;N-(6-methoxynaphthalen-2-yl)-10-[10-(N-(6-methoxynaphthalen-2-yl)-4-methylanilino)anthracen-9-yl]-N-(4-methylphenyl)anthracen-9-amine;10-[10-(4-methyl-N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)anthracen-9-amine;9-N,9-N,10-N,10-N-tetrakis(2-methylphenyl)anthracene-9,10-diamine (PubChem CID 158407980) has the molecular formula C258H206N12O6S and a molecular weight of 3602.63 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;N-(6-methoxynaphthalen-2-yl)-10-[10-(N-(6-methoxynaphthalen-2-yl)-4-methylanilino)anthracen-9-yl]-N-(4-methylphenyl)anthracen-9-amine;10-[10-(4-methyl-N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)anthracen-9-amine;9-N,9-N,10-N,10-N-tetrakis(2-methylphenyl)anthracene-9,10-diamine.

Molecular Properties

• Compound Name: 5-(1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;N-(6-methoxynaphthalen-2-yl)-10-[10-(N-(6-methoxynaphthalen-2-yl)-4-methylanilino)anthracen-9-yl]-N-(4-methylphenyl)anthracen-9-amine;10-[10-(4-methyl-N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)anthracen-9-amine;9-N,9-N,10-N,10-N-tetrakis(2-methylphenyl)anthracene-9,10-diamine
• PubChem CID: 158407980
• Molecular Formula: C258H206N12O6S
• Molecular Weight: 3602.63 g/mol
• Exact Mass: 3599.59
• IUPAC Name: 5-(1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;N-(6-methoxynaphthalen-2-yl)-10-[10-(N-(6-methoxynaphthalen-2-yl)-4-methylanilino)anthracen-9-yl]-N-(4-methylphenyl)anthracen-9-amine;10-[10-(4-methyl-N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)anthracen-9-amine;9-N,9-N,10-N,10-N-tetrakis(2-methylphenyl)anthracene-9,10-diamine
• SMILES: CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2nc4ccccc4s2)c(=O)oc31.COc1ccc2cc(N(c3ccc(C)cc3)c3c4ccccc4c(-c4c5ccccc5c(N(c5ccc(C)cc5)c5ccc6cc(OC)ccc6c5)c5ccccc45)c4ccccc34)ccc2c1.Cc1ccc(N(c2ccc(C)c3ccccc23)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccc(C)cc4)c4ccc(C)c5ccccc45)c4ccccc34)c3ccccc23)cc1.Cc1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccc(C)cc3)c3ccccc23)cc1.Cc1ccccc1N(c1ccccc1C)c1c2ccccc2c(N(c2ccccc2C)c2ccccc2C)c2ccccc12.Cn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3C
• InChI: InChI=1S/C64H48N2O2.C64H48N2.C42H36N2.C40H32N2.C26H26N2O2S.C22H16N2O2/c1-41-21-29-47(30-22-41)65(49-33-25-45-39-51(67-3)35-27-43(45)37-49)63-57-17-9-5-13-53(57)61(54-14-6-10-18-58(54)63)62-55-15-7-11-19-59(55)64(60-20-12-8-16-56(60)62)66(48-31-23-42(2)24-32-48)50-34-26-46-40-52(68-4)36-28-44(46)38-50;1-41-29-35-45(36-30-41)65(59-39-33-43(3)47-17-5-7-19-49(47)59)63-55-25-13-9-21-51(55)61(52-22-10-14-26-56(52)63)62-53-23-11-15-27-57(53)64(58-28-16-12-24-54(58)62)66(46-37-31-42(2)32-38-46)60-40-34-44(4)48-18-6-8-20-50(48)60;1-29-17-5-13-25-37(29)43(38-26-14-6-18-30(38)2)41-33-21-9-11-23-35(33)42(36-24-12-10-22-34(36)41)44(39-27-15-7-19-31(39)3)40-28-16-8-20-32(40)4;1-29-21-25-33(26-22-29)41(31-13-5-3-6-14-31)39-35-17-9-11-19-37(35)40(38-20-12-10-18-36(38)39)42(32-15-7-4-8-16-32)34-27-23-30(2)24-28-34;1-25(2)9-11-28-12-10-26(3,4)20-21(28)17(25)14-15-13-16(24(29)30-22(15)20)23-27-18-7-5-6-8-19(18)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/h5-40H,1-4H3;5-40H,1-4H3;5-28H,1-4H3;3-28H,1-2H3;5-8,13-14H,9-12H2,1-4H3;3-12H,1-2H3
• InChIKey: GYYABALLXNPNFJ-UHFFFAOYSA-N
• XLogP: 69.94
• TPSA: 134.72 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 29
• Heavy Atoms: 277
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3602.63
LogP ≤ 5	69.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;N-(6-methoxynaphthalen-2-yl)-10-[10-(N-(6-methoxynaphthalen-2-yl)-4-methylanilino)anthracen-9-yl]-N-(4-methylphenyl)anthracen-9-amine;10-[10-(4-methyl-N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)anthracen-9-amine;9-N,9-N,10-N,10-N-tetrakis(2-methylphenyl)anthracene-9,10-diamine?

The IUPAC name of 5-(1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;N-(6-methoxynaphthalen-2-yl)-10-[10-(N-(6-methoxynaphthalen-2-yl)-4-methylanilino)anthracen-9-yl]-N-(4-methylphenyl)anthracen-9-amine;10-[10-(4-methyl-N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)anthracen-9-amine;9-N,9-N,10-N,10-N-tetrakis(2-methylphenyl)anthracene-9,10-diamine (CID 158407980) is 5-(1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;N-(6-methoxynaphthalen-2-yl)-10-[10-(N-(6-methoxynaphthalen-2-yl)-4-methylanilino)anthracen-9-yl]-N-(4-methylphenyl)anthracen-9-amine;10-[10-(4-methyl-N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)anthracen-9-amine;9-N,9-N,10-N,10-N-tetrakis(2-methylphenyl)anthracene-9,10-diamine.

What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;N-(6-methoxynaphthalen-2-yl)-10-[10-(N-(6-methoxynaphthalen-2-yl)-4-methylanilino)anthracen-9-yl]-N-(4-methylphenyl)anthracen-9-amine;10-[10-(4-methyl-N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)anthracen-9-amine;9-N,9-N,10-N,10-N-tetrakis(2-methylphenyl)anthracene-9,10-diamine?

The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;N-(6-methoxynaphthalen-2-yl)-10-[10-(N-(6-methoxynaphthalen-2-yl)-4-methylanilino)anthracen-9-yl]-N-(4-methylphenyl)anthracen-9-amine;10-[10-(4-methyl-N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)anthracen-9-amine;9-N,9-N,10-N,10-N-tetrakis(2-methylphenyl)anthracene-9,10-diamine is CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2nc4ccccc4s2)c(=O)oc31.COc1ccc2cc(N(c3ccc(C)cc3)c3c4ccccc4c(-c4c5ccccc5c(N(c5ccc(C)cc5)c5ccc6cc(OC)ccc6c5)c5ccccc45)c4ccccc34)ccc2c1.Cc1ccc(N(c2ccc(C)c3ccccc23)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccc(C)cc4)c4ccc(C)c5ccccc45)c4ccccc34)c3ccccc23)cc1.Cc1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccc(C)cc3)c3ccccc23)cc1.Cc1ccccc1N(c1ccccc1C)c1c2ccccc2c(N(c2ccccc2C)c2ccccc2C)c2ccccc12.Cn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3C.

What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;N-(6-methoxynaphthalen-2-yl)-10-[10-(N-(6-methoxynaphthalen-2-yl)-4-methylanilino)anthracen-9-yl]-N-(4-methylphenyl)anthracen-9-amine;10-[10-(4-methyl-N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)anthracen-9-amine;9-N,9-N,10-N,10-N-tetrakis(2-methylphenyl)anthracene-9,10-diamine?

The InChIKey is GYYABALLXNPNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N2O2.C64H48N2.C42H36N2.C40H32N2.C26H26N2O2S.C22H16N2O2/c1-41-21-29-47(30-22-41)65(49-33-25-45-39-51(67-3)35-27-43(45)37-49)63-57-17-9-5-13-53(57)61(54-14-6-10-18-58(54)63)62-55-15-7-11-19-59(55)64(60-20-12-8-16-56(60)62)66(48-31-23-42(2)24-32-48)50-34-26-46-40-52(68-4)36-28-44(46)38-50;1-41-29-35-45(36-30-41)65(59-39-33-43(3)47-17-5-7-19-49(47)59)63-55-25-13-9-21-51(55)61(52-22-10-14-26-56(52)63)62-53-23-11-15-27-57(53)64(58-28-16-12-24-54(58)62)66(46-37-31-42(2)32-38-46)60-40-34-44(4)48-18-6-8-20-50(48)60;1-29-17-5-13-25-37(29)43(38-26-14-6-18-30(38)2)41-33-21-9-11-23-35(33)42(36-24-12-10-22-34(36)41)44(39-27-15-7-19-31(39)3)40-28-16-8-20-32(40)4;1-29-21-25-33(26-22-29)41(31-13-5-3-6-14-31)39-35-17-9-11-19-37(35)40(38-20-12-10-18-36(38)39)42(32-15-7-4-8-16-32)34-27-23-30(2)24-28-34;1-25(2)9-11-28-12-10-26(3,4)20-21(28)17(25)14-15-13-16(24(29)30-22(15)20)23-27-18-7-5-6-8-19(18)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/h5-40H,1-4H3;5-40H,1-4H3;5-28H,1-4H3;3-28H,1-2H3;5-8,13-14H,9-12H2,1-4H3;3-12H,1-2H3.

What are the key properties of 5-(1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;N-(6-methoxynaphthalen-2-yl)-10-[10-(N-(6-methoxynaphthalen-2-yl)-4-methylanilino)anthracen-9-yl]-N-(4-methylphenyl)anthracen-9-amine;10-[10-(4-methyl-N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)anthracen-9-amine;9-N,9-N,10-N,10-N-tetrakis(2-methylphenyl)anthracene-9,10-diamine?

5-(1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;N-(6-methoxynaphthalen-2-yl)-10-[10-(N-(6-methoxynaphthalen-2-yl)-4-methylanilino)anthracen-9-yl]-N-(4-methylphenyl)anthracen-9-amine;10-[10-(4-methyl-N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)anthracen-9-amine;9-N,9-N,10-N,10-N-tetrakis(2-methylphenyl)anthracene-9,10-diamine has a molecular weight of 3602.63 g/mol, XLogP of 69.94, 29 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;9-N,10-N-bis(4-methylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;N-(6-methoxynaphthalen-2-yl)-10-[10-(N-(6-methoxynaphthalen-2-yl)-4-methylanilino)anthracen-9-yl]-N-(4-methylphenyl)anthracen-9-amine;10-[10-(4-methyl-N-(4-methylnaphthalen-1-yl)anilino)anthracen-9-yl]-N-(4-methylnaphthalen-1-yl)-N-(4-methylphenyl)anthracen-9-amine;9-N,9-N,10-N,10-N-tetrakis(2-methylphenyl)anthracene-9,10-diamine is sourced from PubChem (CID 158407980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).