3-N-dibenzothiophen-4-yl-5-(3-dibenzothiophen-2-ylphenyl)-1-N-naphthalen-1-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;5-(4-dibenzothiophen-2-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(9-methyldibenzothiophen-2-yl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine

C200H139N7S4 — CID 160549088

About 3-N-dibenzothiophen-4-yl-5-(3-dibenzothiophen-2-ylphenyl)-1-N-naphthalen-1-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;5-(4-dibenzothiophen-2-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(9-methyldibenzothiophen-2-yl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine

3-N-dibenzothiophen-4-yl-5-(3-dibenzothiophen-2-ylphenyl)-1-N-naphthalen-1-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;5-(4-dibenzothiophen-2-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(9-methyldibenzothiophen-2-yl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine (PubChem CID 160549088) has the molecular formula C200H139N7S4 and a molecular weight of 2773.66 g/mol. Its IUPAC name is 3-N-dibenzothiophen-4-yl-5-(3-dibenzothiophen-2-ylphenyl)-1-N-naphthalen-1-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;5-(4-dibenzothiophen-2-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(9-methyldibenzothiophen-2-yl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine.

Molecular Properties

• Compound Name: 3-N-dibenzothiophen-4-yl-5-(3-dibenzothiophen-2-ylphenyl)-1-N-naphthalen-1-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;5-(4-dibenzothiophen-2-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(9-methyldibenzothiophen-2-yl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
• PubChem CID: 160549088
• Molecular Formula: C200H139N7S4
• Molecular Weight: 2773.66 g/mol
• Exact Mass: 2771.03
• IUPAC Name: 3-N-dibenzothiophen-4-yl-5-(3-dibenzothiophen-2-ylphenyl)-1-N-naphthalen-1-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;5-(4-dibenzothiophen-2-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(9-methyldibenzothiophen-2-yl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccccc3)c3cc(-c4ccc(-c5ccc6sc7cccc(C)c7c6c5)cc4)cc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc2)c([2H])c1[2H].c1ccc(-c2cc(-c3ccccc3)cc(N(c3cc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc(N(c4ccccc4)c4ccccc4)c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(-c2ccc(N(c3cc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cc(N(c4ccccc4)c4cccc5ccccc45)c3)c3cccc4c3sc3ccccc34)cc2)cc1
• InChI: InChI=1S/C72H49N3S.C64H42N2S2.C64H48N2S/c1-6-20-50(21-7-1)55-42-56(51-22-8-2-9-23-51)44-62(43-55)74(61-39-40-70-67(49-61)65-30-16-18-32-69(65)75(70)60-28-14-5-15-29-60)64-46-57(45-63(48-64)73(58-24-10-3-11-25-58)59-26-12-4-13-27-59)53-36-34-52(35-37-53)54-38-41-72-68(47-54)66-31-17-19-33-71(66)76-72;1-3-16-43(17-4-1)44-32-35-51(36-33-44)66(60-29-15-27-57-55-25-9-12-31-62(55)68-64(57)60)53-40-49(47-21-13-20-46(38-47)48-34-37-63-58(41-48)56-26-10-11-30-61(56)67-63)39-52(42-53)65(50-22-5-2-6-23-50)59-28-14-19-45-18-7-8-24-54(45)59;1-43-16-15-25-62-63(43)58-40-48(32-37-61(58)67-62)46-26-28-47(29-27-46)49-38-54(65(50-19-9-5-10-20-50)52-33-30-45(31-34-52)44-17-7-4-8-18-44)41-55(39-49)66(51-21-11-6-12-22-51)53-35-36-57-56-23-13-14-24-59(56)64(2,3)60(57)42-53/h1-49H;1-42H;4-42H,1-3H3/i;;4D,7D,8D,17D,18D
• InChIKey: QXUXVHHSKHPJEY-OMGHLJNASA-N
• XLogP: 58.89
• TPSA: 24.37 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 29
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2773.66
LogP ≤ 5	58.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzothiophen-4-yl-5-(3-dibenzothiophen-2-ylphenyl)-1-N-naphthalen-1-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;5-(4-dibenzothiophen-2-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(9-methyldibenzothiophen-2-yl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine?

The IUPAC name of 3-N-dibenzothiophen-4-yl-5-(3-dibenzothiophen-2-ylphenyl)-1-N-naphthalen-1-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;5-(4-dibenzothiophen-2-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(9-methyldibenzothiophen-2-yl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine (CID 160549088) is 3-N-dibenzothiophen-4-yl-5-(3-dibenzothiophen-2-ylphenyl)-1-N-naphthalen-1-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;5-(4-dibenzothiophen-2-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(9-methyldibenzothiophen-2-yl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine.

What is the SMILES notation for 3-N-dibenzothiophen-4-yl-5-(3-dibenzothiophen-2-ylphenyl)-1-N-naphthalen-1-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;5-(4-dibenzothiophen-2-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(9-methyldibenzothiophen-2-yl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine?

The canonical SMILES for 3-N-dibenzothiophen-4-yl-5-(3-dibenzothiophen-2-ylphenyl)-1-N-naphthalen-1-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;5-(4-dibenzothiophen-2-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(9-methyldibenzothiophen-2-yl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine is [2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccccc3)c3cc(-c4ccc(-c5ccc6sc7cccc(C)c7c6c5)cc4)cc(N(c4ccccc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)cc2)c([2H])c1[2H].c1ccc(-c2cc(-c3ccccc3)cc(N(c3cc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc(N(c4ccccc4)c4ccccc4)c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(-c2ccc(N(c3cc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cc(N(c4ccccc4)c4cccc5ccccc45)c3)c3cccc4c3sc3ccccc34)cc2)cc1.

What is the InChIKey of 3-N-dibenzothiophen-4-yl-5-(3-dibenzothiophen-2-ylphenyl)-1-N-naphthalen-1-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;5-(4-dibenzothiophen-2-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(9-methyldibenzothiophen-2-yl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine?

The InChIKey is QXUXVHHSKHPJEY-OMGHLJNASA-N. The full InChI is InChI=1S/C72H49N3S.C64H42N2S2.C64H48N2S/c1-6-20-50(21-7-1)55-42-56(51-22-8-2-9-23-51)44-62(43-55)74(61-39-40-70-67(49-61)65-30-16-18-32-69(65)75(70)60-28-14-5-15-29-60)64-46-57(45-63(48-64)73(58-24-10-3-11-25-58)59-26-12-4-13-27-59)53-36-34-52(35-37-53)54-38-41-72-68(47-54)66-31-17-19-33-71(66)76-72;1-3-16-43(17-4-1)44-32-35-51(36-33-44)66(60-29-15-27-57-55-25-9-12-31-62(55)68-64(57)60)53-40-49(47-21-13-20-46(38-47)48-34-37-63-58(41-48)56-26-10-11-30-61(56)67-63)39-52(42-53)65(50-22-5-2-6-23-50)59-28-14-19-45-18-7-8-24-54(45)59;1-43-16-15-25-62-63(43)58-40-48(32-37-61(58)67-62)46-26-28-47(29-27-46)49-38-54(65(50-19-9-5-10-20-50)52-33-30-45(31-34-52)44-17-7-4-8-18-44)41-55(39-49)66(51-21-11-6-12-22-51)53-35-36-57-56-23-13-14-24-59(56)64(2,3)60(57)42-53/h1-49H;1-42H;4-42H,1-3H3/i;;4D,7D,8D,17D,18D.

What are the key properties of 3-N-dibenzothiophen-4-yl-5-(3-dibenzothiophen-2-ylphenyl)-1-N-naphthalen-1-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;5-(4-dibenzothiophen-2-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(9-methyldibenzothiophen-2-yl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine?

3-N-dibenzothiophen-4-yl-5-(3-dibenzothiophen-2-ylphenyl)-1-N-naphthalen-1-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;5-(4-dibenzothiophen-2-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(9-methyldibenzothiophen-2-yl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine has a molecular weight of 2773.66 g/mol, XLogP of 58.89, 29 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-dibenzothiophen-4-yl-5-(3-dibenzothiophen-2-ylphenyl)-1-N-naphthalen-1-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine;5-(4-dibenzothiophen-2-ylphenyl)-3-N-(3,5-diphenylphenyl)-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine;3-N-(9,9-dimethylfluoren-2-yl)-5-[4-(9-methyldibenzothiophen-2-yl)phenyl]-1-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine is sourced from PubChem (CID 160549088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).