2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole;9-[8-[3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]-3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazole;8-[2-(1,5-dimethylpyrrol-2-yl)phenyl]-4-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-12-[8-[8-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C243H161N29O3S3 — CID 158722713

About 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole;9-[8-[3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]-3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazole;8-[2-(1,5-dimethylpyrrol-2-yl)phenyl]-4-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-12-[8-[8-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole;9-[8-[3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]-3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazole;8-[2-(1,5-dimethylpyrrol-2-yl)phenyl]-4-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-12-[8-[8-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 158722713) has the molecular formula C243H161N29O3S3 and a molecular weight of 3631.36 g/mol. Its IUPAC name is 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole;9-[8-[3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]-3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazole;8-[2-(1,5-dimethylpyrrol-2-yl)phenyl]-4-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-12-[8-[8-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

• Compound Name: 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole;9-[8-[3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]-3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazole;8-[2-(1,5-dimethylpyrrol-2-yl)phenyl]-4-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-12-[8-[8-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• PubChem CID: 158722713
• Molecular Formula: C243H161N29O3S3
• Molecular Weight: 3631.36 g/mol
• Exact Mass: 3628.25
• IUPAC Name: 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole;9-[8-[3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]-3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazole;8-[2-(1,5-dimethylpyrrol-2-yl)phenyl]-4-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-12-[8-[8-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• SMILES: Cc1ccc(-c2ccccc2-n2c3ccc(-c4cccc(-c5nncn5C)c4)nc3c3nc(-c4ccc5oc6ccc(-n7c8ccc(-c9cccc(-c%10nncn%10C)c9)cc8c8ncccc87)cc6c5c4)ccc32)n1C.Cn1c(-c2ccccc2)cnc1-c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(-c5ncc(-c6ccccc6)n5C)c4)ccc2n3-c2cc(-c3ncc(-c4ccccc4)s3)c3oc4c(-c5ccc(-c6ccccc6)s5)cc(-c5ncc(-c6ccccc6)s5)cc4c3c2)c1.c1ccc(-n2ccnc2-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4nccn4-c4ccccc4)ccc2n3-c2ccc3oc4ccc(-n5c6ccc(-c7ccccc7-c7nccn7-c7ccccc7)cc6c6cc(-c7ccccc7-c7nccn7-c7ccccc7)ccc65)cc4c3c2)cc1
• InChI: InChI=1S/C96H62N10O.C84H55N7OS3.C63H44N12O/c1-5-21-67(22-6-1)101-53-49-97-93(101)77-33-17-13-29-73(77)63-37-43-87-81(57-63)82-58-64(74-30-14-18-34-78(74)94-98-50-54-102(94)68-23-7-2-8-24-68)38-44-88(82)105(87)71-41-47-91-85(61-71)86-62-72(42-48-92(86)107-91)106-89-45-39-65(75-31-15-19-35-79(75)95-99-51-55-103(95)69-25-9-3-10-26-69)59-83(89)84-60-66(40-46-90(84)106)76-32-16-20-36-80(76)96-100-52-56-104(96)70-27-11-4-12-28-70;1-89-73(52-20-8-3-9-21-52)48-85-81(89)61-32-18-30-57(40-61)59-34-36-71-65(42-59)66-43-60(58-31-19-33-62(41-58)82-86-49-74(90(82)2)53-22-10-4-11-23-53)35-37-72(66)91(71)64-46-68-67-44-63(83-87-50-77(94-83)55-26-14-6-15-27-55)45-69(76-39-38-75(93-76)54-24-12-5-13-25-54)79(67)92-80(68)70(47-64)84-88-51-78(95-84)56-28-16-7-17-29-56;1-37-17-23-51(73(37)4)45-14-5-6-15-52(45)75-55-25-21-49(40-11-8-13-43(31-40)63-70-66-36-72(63)3)67-60(55)61-56(75)26-22-50(68-61)41-19-27-57-46(33-41)47-34-44(20-28-58(47)76-57)74-53-24-18-39(32-48(53)59-54(74)16-9-29-64-59)38-10-7-12-42(30-38)62-69-65-35-71(62)2/h1-62H;3-51H,1-2H3;5-36H,1-4H3
• InChIKey: IKCQYMJMYAKEKJ-UHFFFAOYSA-N
• XLogP: 60.86
• TPSA: 301.79 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 35
• Heavy Atoms: 278
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3631.36
LogP ≤ 5	60.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole;9-[8-[3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]-3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazole;8-[2-(1,5-dimethylpyrrol-2-yl)phenyl]-4-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-12-[8-[8-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The IUPAC name of 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole;9-[8-[3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]-3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazole;8-[2-(1,5-dimethylpyrrol-2-yl)phenyl]-4-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-12-[8-[8-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 158722713) is 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole;9-[8-[3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]-3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazole;8-[2-(1,5-dimethylpyrrol-2-yl)phenyl]-4-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-12-[8-[8-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

What is the SMILES notation for 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole;9-[8-[3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]-3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazole;8-[2-(1,5-dimethylpyrrol-2-yl)phenyl]-4-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-12-[8-[8-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The canonical SMILES for 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole;9-[8-[3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]-3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazole;8-[2-(1,5-dimethylpyrrol-2-yl)phenyl]-4-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-12-[8-[8-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Cc1ccc(-c2ccccc2-n2c3ccc(-c4cccc(-c5nncn5C)c4)nc3c3nc(-c4ccc5oc6ccc(-n7c8ccc(-c9cccc(-c%10nncn%10C)c9)cc8c8ncccc87)cc6c5c4)ccc32)n1C.Cn1c(-c2ccccc2)cnc1-c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(-c5ncc(-c6ccccc6)n5C)c4)ccc2n3-c2cc(-c3ncc(-c4ccccc4)s3)c3oc4c(-c5ccc(-c6ccccc6)s5)cc(-c5ncc(-c6ccccc6)s5)cc4c3c2)c1.c1ccc(-n2ccnc2-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4nccn4-c4ccccc4)ccc2n3-c2ccc3oc4ccc(-n5c6ccc(-c7ccccc7-c7nccn7-c7ccccc7)cc6c6cc(-c7ccccc7-c7nccn7-c7ccccc7)ccc65)cc4c3c2)cc1.

What is the InChIKey of 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole;9-[8-[3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]-3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazole;8-[2-(1,5-dimethylpyrrol-2-yl)phenyl]-4-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-12-[8-[8-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The InChIKey is IKCQYMJMYAKEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H62N10O.C84H55N7OS3.C63H44N12O/c1-5-21-67(22-6-1)101-53-49-97-93(101)77-33-17-13-29-73(77)63-37-43-87-81(57-63)82-58-64(74-30-14-18-34-78(74)94-98-50-54-102(94)68-23-7-2-8-24-68)38-44-88(82)105(87)71-41-47-91-85(61-71)86-62-72(42-48-92(86)107-91)106-89-45-39-65(75-31-15-19-35-79(75)95-99-51-55-103(95)69-25-9-3-10-26-69)59-83(89)84-60-66(40-46-90(84)106)76-32-16-20-36-80(76)96-100-52-56-104(96)70-27-11-4-12-28-70;1-89-73(52-20-8-3-9-21-52)48-85-81(89)61-32-18-30-57(40-61)59-34-36-71-65(42-59)66-43-60(58-31-19-33-62(41-58)82-86-49-74(90(82)2)53-22-10-4-11-23-53)35-37-72(66)91(71)64-46-68-67-44-63(83-87-50-77(94-83)55-26-14-6-15-27-55)45-69(76-39-38-75(93-76)54-24-12-5-13-25-54)79(67)92-80(68)70(47-64)84-88-51-78(95-84)56-28-16-7-17-29-56;1-37-17-23-51(73(37)4)45-14-5-6-15-52(45)75-55-25-21-49(40-11-8-13-43(31-40)63-70-66-36-72(63)3)67-60(55)61-56(75)26-22-50(68-61)41-19-27-57-46(33-41)47-34-44(20-28-58(47)76-57)74-53-24-18-39(32-48(53)59-54(74)16-9-29-64-59)38-10-7-12-42(30-38)62-69-65-35-71(62)2/h1-62H;3-51H,1-2H3;5-36H,1-4H3.

What are the key properties of 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole;9-[8-[3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]-3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazole;8-[2-(1,5-dimethylpyrrol-2-yl)phenyl]-4-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-12-[8-[8-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole;9-[8-[3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]-3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazole;8-[2-(1,5-dimethylpyrrol-2-yl)phenyl]-4-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-12-[8-[8-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 3631.36 g/mol, XLogP of 60.86, 35 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3,6-bis[3-(1-methyl-5-phenylimidazol-2-yl)phenyl]carbazol-9-yl]-8-(5-phenyl-1,3-thiazol-2-yl)-6-(5-phenylthiophen-2-yl)dibenzofuran-4-yl]-5-phenyl-1,3-thiazole;9-[8-[3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]-3,6-bis[2-(1-phenylimidazol-2-yl)phenyl]carbazole;8-[2-(1,5-dimethylpyrrol-2-yl)phenyl]-4-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-12-[8-[8-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 158722713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).