4-[8-[2-[4,6-dimethyl-8-(2-methyl-5-phenyl-1,3-thiazol-4-yl)dibenzothiophen-2-yl]phenyl]-4,6-dimethyldibenzothiophen-2-yl]-2-methyl-5-phenyl-1,3-thiazole;5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;2-[2-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzofuran-2-yl]phenyl]pyridine

C187H125N13O3S4 — CID 161196430

About 4-[8-[2-[4,6-dimethyl-8-(2-methyl-5-phenyl-1,3-thiazol-4-yl)dibenzothiophen-2-yl]phenyl]-4,6-dimethyldibenzothiophen-2-yl]-2-methyl-5-phenyl-1,3-thiazole;5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;2-[2-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzofuran-2-yl]phenyl]pyridine

4-[8-[2-[4,6-dimethyl-8-(2-methyl-5-phenyl-1,3-thiazol-4-yl)dibenzothiophen-2-yl]phenyl]-4,6-dimethyldibenzothiophen-2-yl]-2-methyl-5-phenyl-1,3-thiazole;5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;2-[2-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzofuran-2-yl]phenyl]pyridine (PubChem CID 161196430) has the molecular formula C187H125N13O3S4 and a molecular weight of 2730.41 g/mol. Its IUPAC name is 4-[8-[2-[4,6-dimethyl-8-(2-methyl-5-phenyl-1,3-thiazol-4-yl)dibenzothiophen-2-yl]phenyl]-4,6-dimethyldibenzothiophen-2-yl]-2-methyl-5-phenyl-1,3-thiazole;5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;2-[2-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzofuran-2-yl]phenyl]pyridine.

Molecular Properties

• Compound Name: 4-[8-[2-[4,6-dimethyl-8-(2-methyl-5-phenyl-1,3-thiazol-4-yl)dibenzothiophen-2-yl]phenyl]-4,6-dimethyldibenzothiophen-2-yl]-2-methyl-5-phenyl-1,3-thiazole;5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;2-[2-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzofuran-2-yl]phenyl]pyridine
• PubChem CID: 161196430
• Molecular Formula: C187H125N13O3S4
• Molecular Weight: 2730.41 g/mol
• Exact Mass: 2727.89
• IUPAC Name: 4-[8-[2-[4,6-dimethyl-8-(2-methyl-5-phenyl-1,3-thiazol-4-yl)dibenzothiophen-2-yl]phenyl]-4,6-dimethyldibenzothiophen-2-yl]-2-methyl-5-phenyl-1,3-thiazole;5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;2-[2-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzofuran-2-yl]phenyl]pyridine
• SMILES: Cc1cc(-n2c3ccccc3c3ncccc32)ccc1-c1ccc(-n2c3ccccc3c3ncccc32)cc1C.Cc1nc(-c2cc(C)c3sc4c(C)cc(-c5ccccc5-c5cc(C)c6sc7c(C)cc(-c8nc(C)sc8-c8ccccc8)cc7c6c5)cc4c3c2)c(-c2ccccc2)s1.c1ccc(-c2ccccc2-c2ccc3oc4ccc(-c5ccc6oc7ccc(-c8ccccc8-c8ccccn8)cc7c6c5)cc4c3c2)nc1.c1ccc(-n2c3ccc(-c4ccc5oc6c(-n7c8ccc(-c9ccccc9-c9ccccn9)cc8c8ncccc87)cccc6c5c4)cc3c3ncccc32)cc1
• InChI: InChI=1S/C54H40N2S4.C51H31N5O.C46H28N2O2.C36H26N4/c1-29-21-37(25-43-45-27-39(23-31(3)51(45)59-49(29)43)47-53(57-33(5)55-47)35-15-9-7-10-16-35)41-19-13-14-20-42(41)38-22-30(2)50-44(26-38)46-28-40(24-32(4)52(46)60-50)48-54(58-34(6)56-48)36-17-11-8-12-18-36;1-2-11-35(12-3-1)55-43-23-20-32(30-40(43)49-45(55)18-9-27-53-49)33-22-25-48-39(29-33)38-15-8-17-47(51(38)57-48)56-44-24-21-34(31-41(44)50-46(56)19-10-28-54-50)36-13-4-5-14-37(36)42-16-6-7-26-52-42;1-3-11-35(41-13-5-7-23-47-41)33(9-1)31-17-21-45-39(27-31)37-25-29(15-19-43(37)49-45)30-16-20-44-38(26-30)40-28-32(18-22-46(40)50-44)34-10-2-4-12-36(34)42-14-6-8-24-48-42;1-23-21-25(39-31-11-5-3-9-29(31)35-33(39)13-7-19-37-35)15-17-27(23)28-18-16-26(22-24(28)2)40-32-12-6-4-10-30(32)36-34(40)14-8-20-38-36/h7-28H,1-6H3;1-31H;1-28H;3-22H,1-2H3
• InChIKey: UUKCZIRYCJHOTD-UHFFFAOYSA-N
• XLogP: 51.72
• TPSA: 175.15 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2730.41
LogP ≤ 5	51.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-[8-[2-[4,6-dimethyl-8-(2-methyl-5-phenyl-1,3-thiazol-4-yl)dibenzothiophen-2-yl]phenyl]-4,6-dimethyldibenzothiophen-2-yl]-2-methyl-5-phenyl-1,3-thiazole;5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;2-[2-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzofuran-2-yl]phenyl]pyridine?

The IUPAC name of 4-[8-[2-[4,6-dimethyl-8-(2-methyl-5-phenyl-1,3-thiazol-4-yl)dibenzothiophen-2-yl]phenyl]-4,6-dimethyldibenzothiophen-2-yl]-2-methyl-5-phenyl-1,3-thiazole;5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;2-[2-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzofuran-2-yl]phenyl]pyridine (CID 161196430) is 4-[8-[2-[4,6-dimethyl-8-(2-methyl-5-phenyl-1,3-thiazol-4-yl)dibenzothiophen-2-yl]phenyl]-4,6-dimethyldibenzothiophen-2-yl]-2-methyl-5-phenyl-1,3-thiazole;5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;2-[2-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzofuran-2-yl]phenyl]pyridine.

What is the SMILES notation for 4-[8-[2-[4,6-dimethyl-8-(2-methyl-5-phenyl-1,3-thiazol-4-yl)dibenzothiophen-2-yl]phenyl]-4,6-dimethyldibenzothiophen-2-yl]-2-methyl-5-phenyl-1,3-thiazole;5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;2-[2-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzofuran-2-yl]phenyl]pyridine?

The canonical SMILES for 4-[8-[2-[4,6-dimethyl-8-(2-methyl-5-phenyl-1,3-thiazol-4-yl)dibenzothiophen-2-yl]phenyl]-4,6-dimethyldibenzothiophen-2-yl]-2-methyl-5-phenyl-1,3-thiazole;5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;2-[2-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzofuran-2-yl]phenyl]pyridine is Cc1cc(-n2c3ccccc3c3ncccc32)ccc1-c1ccc(-n2c3ccccc3c3ncccc32)cc1C.Cc1nc(-c2cc(C)c3sc4c(C)cc(-c5ccccc5-c5cc(C)c6sc7c(C)cc(-c8nc(C)sc8-c8ccccc8)cc7c6c5)cc4c3c2)c(-c2ccccc2)s1.c1ccc(-c2ccccc2-c2ccc3oc4ccc(-c5ccc6oc7ccc(-c8ccccc8-c8ccccn8)cc7c6c5)cc4c3c2)nc1.c1ccc(-n2c3ccc(-c4ccc5oc6c(-n7c8ccc(-c9ccccc9-c9ccccn9)cc8c8ncccc87)cccc6c5c4)cc3c3ncccc32)cc1.

What is the InChIKey of 4-[8-[2-[4,6-dimethyl-8-(2-methyl-5-phenyl-1,3-thiazol-4-yl)dibenzothiophen-2-yl]phenyl]-4,6-dimethyldibenzothiophen-2-yl]-2-methyl-5-phenyl-1,3-thiazole;5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;2-[2-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzofuran-2-yl]phenyl]pyridine?

The InChIKey is UUKCZIRYCJHOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2S4.C51H31N5O.C46H28N2O2.C36H26N4/c1-29-21-37(25-43-45-27-39(23-31(3)51(45)59-49(29)43)47-53(57-33(5)55-47)35-15-9-7-10-16-35)41-19-13-14-20-42(41)38-22-30(2)50-44(26-38)46-28-40(24-32(4)52(46)60-50)48-54(58-34(6)56-48)36-17-11-8-12-18-36;1-2-11-35(12-3-1)55-43-23-20-32(30-40(43)49-45(55)18-9-27-53-49)33-22-25-48-39(29-33)38-15-8-17-47(51(38)57-48)56-44-24-21-34(31-41(44)50-46(56)19-10-28-54-50)36-13-4-5-14-37(36)42-16-6-7-26-52-42;1-3-11-35(41-13-5-7-23-47-41)33(9-1)31-17-21-45-39(27-31)37-25-29(15-19-43(37)49-45)30-16-20-44-38(26-30)40-28-32(18-22-46(40)50-44)34-10-2-4-12-36(34)42-14-6-8-24-48-42;1-23-21-25(39-31-11-5-3-9-29(31)35-33(39)13-7-19-37-35)15-17-27(23)28-18-16-26(22-24(28)2)40-32-12-6-4-10-30(32)36-34(40)14-8-20-38-36/h7-28H,1-6H3;1-31H;1-28H;3-22H,1-2H3.

What are the key properties of 4-[8-[2-[4,6-dimethyl-8-(2-methyl-5-phenyl-1,3-thiazol-4-yl)dibenzothiophen-2-yl]phenyl]-4,6-dimethyldibenzothiophen-2-yl]-2-methyl-5-phenyl-1,3-thiazole;5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;2-[2-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzofuran-2-yl]phenyl]pyridine?

4-[8-[2-[4,6-dimethyl-8-(2-methyl-5-phenyl-1,3-thiazol-4-yl)dibenzothiophen-2-yl]phenyl]-4,6-dimethyldibenzothiophen-2-yl]-2-methyl-5-phenyl-1,3-thiazole;5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;2-[2-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzofuran-2-yl]phenyl]pyridine has a molecular weight of 2730.41 g/mol, XLogP of 51.72, 19 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-[2-[4,6-dimethyl-8-(2-methyl-5-phenyl-1,3-thiazol-4-yl)dibenzothiophen-2-yl]phenyl]-4,6-dimethyldibenzothiophen-2-yl]-2-methyl-5-phenyl-1,3-thiazole;5-[3-methyl-4-(2-methyl-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole;5-phenyl-8-[6-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]pyrido[3,2-b]indole;2-[2-[8-[8-(2-pyridin-2-ylphenyl)dibenzofuran-2-yl]dibenzofuran-2-yl]phenyl]pyridine is sourced from PubChem (CID 161196430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).