2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-[4-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-3-(1,3-benzothiazol-2-yl)indol-1-yl]phenyl]indol-3-yl]-1,3-benzothiazole;N-[4-[3-(1,3-benzothiazol-2-yl)-1-[4-[3-(1,3-benzothiazol-2-yl)-2-[4-(N-phenylanilino)phenyl]indol-1-yl]phenyl]indol-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-1-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[1-(4-methoxyphenyl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-3-yl]-1,3-benzothiazole

C209H163N21OS6 — CID 157487137

About 2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-[4-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-3-(1,3-benzothiazol-2-yl)indol-1-yl]phenyl]indol-3-yl]-1,3-benzothiazole;N-[4-[3-(1,3-benzothiazol-2-yl)-1-[4-[3-(1,3-benzothiazol-2-yl)-2-[4-(N-phenylanilino)phenyl]indol-1-yl]phenyl]indol-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-1-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[1-(4-methoxyphenyl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-3-yl]-1,3-benzothiazole

2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-[4-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-3-(1,3-benzothiazol-2-yl)indol-1-yl]phenyl]indol-3-yl]-1,3-benzothiazole;N-[4-[3-(1,3-benzothiazol-2-yl)-1-[4-[3-(1,3-benzothiazol-2-yl)-2-[4-(N-phenylanilino)phenyl]indol-1-yl]phenyl]indol-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-1-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[1-(4-methoxyphenyl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-3-yl]-1,3-benzothiazole (PubChem CID 157487137) has the molecular formula C209H163N21OS6 and a molecular weight of 3177.15 g/mol. Its IUPAC name is 2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-[4-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-3-(1,3-benzothiazol-2-yl)indol-1-yl]phenyl]indol-3-yl]-1,3-benzothiazole;N-[4-[3-(1,3-benzothiazol-2-yl)-1-[4-[3-(1,3-benzothiazol-2-yl)-2-[4-(N-phenylanilino)phenyl]indol-1-yl]phenyl]indol-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-1-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[1-(4-methoxyphenyl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-3-yl]-1,3-benzothiazole.

Molecular Properties

• Compound Name: 2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-[4-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-3-(1,3-benzothiazol-2-yl)indol-1-yl]phenyl]indol-3-yl]-1,3-benzothiazole;N-[4-[3-(1,3-benzothiazol-2-yl)-1-[4-[3-(1,3-benzothiazol-2-yl)-2-[4-(N-phenylanilino)phenyl]indol-1-yl]phenyl]indol-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-1-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[1-(4-methoxyphenyl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-3-yl]-1,3-benzothiazole
• PubChem CID: 157487137
• Molecular Formula: C209H163N21OS6
• Molecular Weight: 3177.15 g/mol
• Exact Mass: 3174.17
• IUPAC Name: 2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-[4-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-3-(1,3-benzothiazol-2-yl)indol-1-yl]phenyl]indol-3-yl]-1,3-benzothiazole;N-[4-[3-(1,3-benzothiazol-2-yl)-1-[4-[3-(1,3-benzothiazol-2-yl)-2-[4-(N-phenylanilino)phenyl]indol-1-yl]phenyl]indol-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-1-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[1-(4-methoxyphenyl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-3-yl]-1,3-benzothiazole
• SMILES: COc1ccc(-n2c(-c3cc(N4CCCC4)ccn3)c(-c3nc4ccccc4s3)c3ccccc32)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3c(-c4nc5ccccc5s4)c4ccccc4n3-c3ccc(-n4c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c(-c5nc6ccccc6s5)c5ccccc54)cc3)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-n3c(-c4cc(N5CCCC5)ccn4)c(-c4nc5ccccc5s4)c4ccccc43)cc2)cc1.c1ccc2sc(-c3c(-c4cc5c6c(c4)CCCN6CCC5)n(-c4ccc(-n5c(-c6cc7c8c(c6)CCCN8CCC7)c(-c6nc7ccccc7s6)c6ccccc65)cc4)c4ccccc34)nc2c1
• InChI: InChI=1S/C74H52N6S2.C60H48N6S2.C44H37N5S.C31H26N4OS/c1-49-29-37-55(38-30-49)78(56-39-31-50(2)32-40-56)58-43-35-52(36-44-58)72-70(74-76-64-24-12-16-28-68(64)82-74)62-22-10-14-26-66(62)80(72)60-47-45-59(46-48-60)79-65-25-13-9-21-61(65)69(73-75-63-23-11-15-27-67(63)81-73)71(79)51-33-41-57(42-34-51)77(53-17-5-3-6-18-53)54-19-7-4-8-20-54;1-5-21-49-45(17-1)53(59-61-47-19-3-7-23-51(47)67-59)57(41-33-37-13-9-29-63-30-10-14-38(34-41)55(37)63)65(49)43-25-27-44(28-26-43)66-50-22-6-2-18-46(50)54(60-62-48-20-4-8-24-52(48)68-60)58(66)42-35-39-15-11-31-64-32-12-16-40(36-42)56(39)64;1-30-13-17-32(18-14-30)48(33-19-15-31(2)16-20-33)34-21-23-35(24-22-34)49-40-11-5-3-9-37(40)42(44-46-38-10-4-6-12-41(38)50-44)43(49)39-29-36(25-26-45-39)47-27-7-8-28-47;1-36-23-14-12-21(13-15-23)35-27-10-4-2-8-24(27)29(31-33-25-9-3-5-11-28(25)37-31)30(35)26-20-22(16-17-32-26)34-18-6-7-19-34/h3-48H,1-2H3;1-8,17-28,33-36H,9-16,29-32H2;3-6,9-26,29H,7-8,27-28H2,1-2H3;2-5,8-17,20H,6-7,18-19H2,1H3
• InChIKey: BWVRYGOPNPMJGZ-UHFFFAOYSA-N
• XLogP: 55.11
• TPSA: 164.61 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3177.15
LogP ≤ 5	55.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-[4-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-3-(1,3-benzothiazol-2-yl)indol-1-yl]phenyl]indol-3-yl]-1,3-benzothiazole;N-[4-[3-(1,3-benzothiazol-2-yl)-1-[4-[3-(1,3-benzothiazol-2-yl)-2-[4-(N-phenylanilino)phenyl]indol-1-yl]phenyl]indol-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-1-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[1-(4-methoxyphenyl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-3-yl]-1,3-benzothiazole?

The IUPAC name of 2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-[4-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-3-(1,3-benzothiazol-2-yl)indol-1-yl]phenyl]indol-3-yl]-1,3-benzothiazole;N-[4-[3-(1,3-benzothiazol-2-yl)-1-[4-[3-(1,3-benzothiazol-2-yl)-2-[4-(N-phenylanilino)phenyl]indol-1-yl]phenyl]indol-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-1-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[1-(4-methoxyphenyl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-3-yl]-1,3-benzothiazole (CID 157487137) is 2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-[4-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-3-(1,3-benzothiazol-2-yl)indol-1-yl]phenyl]indol-3-yl]-1,3-benzothiazole;N-[4-[3-(1,3-benzothiazol-2-yl)-1-[4-[3-(1,3-benzothiazol-2-yl)-2-[4-(N-phenylanilino)phenyl]indol-1-yl]phenyl]indol-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-1-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[1-(4-methoxyphenyl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-3-yl]-1,3-benzothiazole.

What is the SMILES notation for 2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-[4-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-3-(1,3-benzothiazol-2-yl)indol-1-yl]phenyl]indol-3-yl]-1,3-benzothiazole;N-[4-[3-(1,3-benzothiazol-2-yl)-1-[4-[3-(1,3-benzothiazol-2-yl)-2-[4-(N-phenylanilino)phenyl]indol-1-yl]phenyl]indol-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-1-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[1-(4-methoxyphenyl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-3-yl]-1,3-benzothiazole?

The canonical SMILES for 2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-[4-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-3-(1,3-benzothiazol-2-yl)indol-1-yl]phenyl]indol-3-yl]-1,3-benzothiazole;N-[4-[3-(1,3-benzothiazol-2-yl)-1-[4-[3-(1,3-benzothiazol-2-yl)-2-[4-(N-phenylanilino)phenyl]indol-1-yl]phenyl]indol-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-1-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[1-(4-methoxyphenyl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-3-yl]-1,3-benzothiazole is COc1ccc(-n2c(-c3cc(N4CCCC4)ccn3)c(-c3nc4ccccc4s3)c3ccccc32)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3c(-c4nc5ccccc5s4)c4ccccc4n3-c3ccc(-n4c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c(-c5nc6ccccc6s5)c5ccccc54)cc3)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-n3c(-c4cc(N5CCCC5)ccn4)c(-c4nc5ccccc5s4)c4ccccc43)cc2)cc1.c1ccc2sc(-c3c(-c4cc5c6c(c4)CCCN6CCC5)n(-c4ccc(-n5c(-c6cc7c8c(c6)CCCN8CCC7)c(-c6nc7ccccc7s6)c6ccccc65)cc4)c4ccccc34)nc2c1.

What is the InChIKey of 2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-[4-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-3-(1,3-benzothiazol-2-yl)indol-1-yl]phenyl]indol-3-yl]-1,3-benzothiazole;N-[4-[3-(1,3-benzothiazol-2-yl)-1-[4-[3-(1,3-benzothiazol-2-yl)-2-[4-(N-phenylanilino)phenyl]indol-1-yl]phenyl]indol-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-1-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[1-(4-methoxyphenyl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-3-yl]-1,3-benzothiazole?

The InChIKey is BWVRYGOPNPMJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H52N6S2.C60H48N6S2.C44H37N5S.C31H26N4OS/c1-49-29-37-55(38-30-49)78(56-39-31-50(2)32-40-56)58-43-35-52(36-44-58)72-70(74-76-64-24-12-16-28-68(64)82-74)62-22-10-14-26-66(62)80(72)60-47-45-59(46-48-60)79-65-25-13-9-21-61(65)69(73-75-63-23-11-15-27-67(63)81-73)71(79)51-33-41-57(42-34-51)77(53-17-5-3-6-18-53)54-19-7-4-8-20-54;1-5-21-49-45(17-1)53(59-61-47-19-3-7-23-51(47)67-59)57(41-33-37-13-9-29-63-30-10-14-38(34-41)55(37)63)65(49)43-25-27-44(28-26-43)66-50-22-6-2-18-46(50)54(60-62-48-20-4-8-24-52(48)68-60)58(66)42-35-39-15-11-31-64-32-12-16-40(36-42)56(39)64;1-30-13-17-32(18-14-30)48(33-19-15-31(2)16-20-33)34-21-23-35(24-22-34)49-40-11-5-3-9-37(40)42(44-46-38-10-4-6-12-41(38)50-44)43(49)39-29-36(25-26-45-39)47-27-7-8-28-47;1-36-23-14-12-21(13-15-23)35-27-10-4-2-8-24(27)29(31-33-25-9-3-5-11-28(25)37-31)30(35)26-20-22(16-17-32-26)34-18-6-7-19-34/h3-48H,1-2H3;1-8,17-28,33-36H,9-16,29-32H2;3-6,9-26,29H,7-8,27-28H2,1-2H3;2-5,8-17,20H,6-7,18-19H2,1H3.

What are the key properties of 2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-[4-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-3-(1,3-benzothiazol-2-yl)indol-1-yl]phenyl]indol-3-yl]-1,3-benzothiazole;N-[4-[3-(1,3-benzothiazol-2-yl)-1-[4-[3-(1,3-benzothiazol-2-yl)-2-[4-(N-phenylanilino)phenyl]indol-1-yl]phenyl]indol-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-1-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[1-(4-methoxyphenyl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-3-yl]-1,3-benzothiazole?

2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-[4-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-3-(1,3-benzothiazol-2-yl)indol-1-yl]phenyl]indol-3-yl]-1,3-benzothiazole;N-[4-[3-(1,3-benzothiazol-2-yl)-1-[4-[3-(1,3-benzothiazol-2-yl)-2-[4-(N-phenylanilino)phenyl]indol-1-yl]phenyl]indol-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-1-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[1-(4-methoxyphenyl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-3-yl]-1,3-benzothiazole has a molecular weight of 3177.15 g/mol, XLogP of 55.11, 30 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-1-[4-[2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-3-(1,3-benzothiazol-2-yl)indol-1-yl]phenyl]indol-3-yl]-1,3-benzothiazole;N-[4-[3-(1,3-benzothiazol-2-yl)-1-[4-[3-(1,3-benzothiazol-2-yl)-2-[4-(N-phenylanilino)phenyl]indol-1-yl]phenyl]indol-2-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-1-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;2-[1-(4-methoxyphenyl)-2-(4-pyrrolidin-1-yl-2-pyridinyl)indol-3-yl]-1,3-benzothiazole is sourced from PubChem (CID 157487137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).