4-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline;4-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-(4-dibenzothiophen-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline

C135H89N3O2S4 — CID 162033020

About 4-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline;4-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-(4-dibenzothiophen-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline

4-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline;4-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-(4-dibenzothiophen-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline (PubChem CID 162033020) has the molecular formula C135H89N3O2S4 and a molecular weight of 1913.48 g/mol. Its IUPAC name is 4-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline;4-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-(4-dibenzothiophen-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline.

Molecular Properties

• Compound Name: 4-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline;4-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-(4-dibenzothiophen-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline
• PubChem CID: 162033020
• Molecular Formula: C135H89N3O2S4
• Molecular Weight: 1913.48 g/mol
• Exact Mass: 1911.58
• IUPAC Name: 4-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline;4-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-(4-dibenzothiophen-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5oc6ccccc6c5c4)c4sc5ccccc5c4c3)cc21.c1ccc(N(c2ccccc2)c2ccc(-c3cc(-c4cccc5c4oc4ccccc45)c4sc5ccccc5c4c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc(-c4cccc5c4sc4ccccc45)c4sc5ccccc5c4c3)cc2)cc1
• InChI: InChI=1S/C51H35NOS.C42H27NOS.C42H27NS2/c1-51(2)45-17-9-6-14-38(45)39-26-25-36(31-46(39)51)52(35-23-20-33(21-24-35)32-12-4-3-5-13-32)37-29-42(50-44(30-37)41-16-8-11-19-49(41)54-50)34-22-27-48-43(28-34)40-15-7-10-18-47(40)53-48;2*1-3-12-30(13-4-1)43(31-14-5-2-6-15-31)32-24-22-28(23-25-32)29-26-37-34-17-8-10-21-40(34)45-42(37)38(27-29)36-19-11-18-35-33-16-7-9-20-39(33)44-41(35)36/h3-31H,1-2H3;2*1-27H
• InChIKey: YWGYBIDELIIUNW-UHFFFAOYSA-N
• XLogP: 41.05
• TPSA: 36.00 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1913.48
LogP ≤ 5	41.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline;4-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-(4-dibenzothiophen-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline?

The IUPAC name of 4-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline;4-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-(4-dibenzothiophen-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline (CID 162033020) is 4-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline;4-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-(4-dibenzothiophen-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline.

What is the SMILES notation for 4-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline;4-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-(4-dibenzothiophen-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline?

The canonical SMILES for 4-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline;4-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-(4-dibenzothiophen-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc5oc6ccccc6c5c4)c4sc5ccccc5c4c3)cc21.c1ccc(N(c2ccccc2)c2ccc(-c3cc(-c4cccc5c4oc4ccccc45)c4sc5ccccc5c4c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cc(-c4cccc5c4sc4ccccc45)c4sc5ccccc5c4c3)cc2)cc1.

What is the InChIKey of 4-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline;4-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-(4-dibenzothiophen-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline?

The InChIKey is YWGYBIDELIIUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35NOS.C42H27NOS.C42H27NS2/c1-51(2)45-17-9-6-14-38(45)39-26-25-36(31-46(39)51)52(35-23-20-33(21-24-35)32-12-4-3-5-13-32)37-29-42(50-44(30-37)41-16-8-11-19-49(41)54-50)34-22-27-48-43(28-34)40-15-7-10-18-47(40)53-48;2*1-3-12-30(13-4-1)43(31-14-5-2-6-15-31)32-24-22-28(23-25-32)29-26-37-34-17-8-10-21-40(34)45-42(37)38(27-29)36-19-11-18-35-33-16-7-9-20-39(33)44-41(35)36/h3-31H,1-2H3;2*1-27H.

What are the key properties of 4-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline;4-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-(4-dibenzothiophen-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline?

4-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline;4-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-(4-dibenzothiophen-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline has a molecular weight of 1913.48 g/mol, XLogP of 41.05, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline;4-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-(4-dibenzothiophen-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline is sourced from PubChem (CID 162033020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).