4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)aniline;1-N-dibenzothiophen-4-yl-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;N-dibenzothiophen-3-yldibenzofuran-4-amine;N-naphthalen-1-yl-1-benzofuran-6-amine

C120H81N5O3S3 — CID 165052493

About 4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)aniline;1-N-dibenzothiophen-4-yl-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;N-dibenzothiophen-3-yldibenzofuran-4-amine;N-naphthalen-1-yl-1-benzofuran-6-amine

4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)aniline;1-N-dibenzothiophen-4-yl-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;N-dibenzothiophen-3-yldibenzofuran-4-amine;N-naphthalen-1-yl-1-benzofuran-6-amine (PubChem CID 165052493) has the molecular formula C120H81N5O3S3 and a molecular weight of 1737.20 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)aniline;1-N-dibenzothiophen-4-yl-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;N-dibenzothiophen-3-yldibenzofuran-4-amine;N-naphthalen-1-yl-1-benzofuran-6-amine.

Molecular Properties

• Compound Name: 4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)aniline;1-N-dibenzothiophen-4-yl-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;N-dibenzothiophen-3-yldibenzofuran-4-amine;N-naphthalen-1-yl-1-benzofuran-6-amine
• PubChem CID: 165052493
• Molecular Formula: C120H81N5O3S3
• Molecular Weight: 1737.20 g/mol
• Exact Mass: 1735.55
• IUPAC Name: 4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)aniline;1-N-dibenzothiophen-4-yl-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;N-dibenzothiophen-3-yldibenzofuran-4-amine;N-naphthalen-1-yl-1-benzofuran-6-amine
• SMILES: c1ccc(-c2cccc(N(c3cccc(Nc4cccc5c4sc4ccccc45)c3)c3cccc(-c4ccccc4)c3)c2)cc1.c1ccc2c(Nc3ccc4ccoc4c3)cccc2c1.c1ccc2c(c1)oc1c(Nc3ccc4c(c3)sc3ccccc34)cccc12.c1ccc2c(c1)oc1ccc(-c3ccc(Nc4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc12
• InChI: InChI=1S/C42H30N2S.C36H23NOS.C24H15NOS.C18H13NO/c1-3-13-30(14-4-1)32-17-9-20-35(27-32)44(36-21-10-18-33(28-36)31-15-5-2-6-16-31)37-22-11-19-34(29-37)43-40-25-12-24-39-38-23-7-8-26-41(38)45-42(39)40;1-3-7-33-29(5-1)31-21-25(13-19-34(31)38-33)23-9-15-27(16-10-23)37-28-17-11-24(12-18-28)26-14-20-36-32(22-26)30-6-2-4-8-35(30)39-36;1-3-10-21-16(6-1)19-8-5-9-20(24(19)26-21)25-15-12-13-18-17-7-2-4-11-22(17)27-23(18)14-15;1-2-6-16-13(4-1)5-3-7-17(16)19-15-9-8-14-10-11-20-18(14)12-15/h1-29,43H;1-22,37H;1-14,25H;1-12,19H
• InChIKey: PWRJLGVYZOSSHV-UHFFFAOYSA-N
• XLogP: 36.66
• TPSA: 90.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1737.20
LogP ≤ 5	36.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)aniline;1-N-dibenzothiophen-4-yl-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;N-dibenzothiophen-3-yldibenzofuran-4-amine;N-naphthalen-1-yl-1-benzofuran-6-amine?

The IUPAC name of 4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)aniline;1-N-dibenzothiophen-4-yl-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;N-dibenzothiophen-3-yldibenzofuran-4-amine;N-naphthalen-1-yl-1-benzofuran-6-amine (CID 165052493) is 4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)aniline;1-N-dibenzothiophen-4-yl-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;N-dibenzothiophen-3-yldibenzofuran-4-amine;N-naphthalen-1-yl-1-benzofuran-6-amine.

What is the SMILES notation for 4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)aniline;1-N-dibenzothiophen-4-yl-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;N-dibenzothiophen-3-yldibenzofuran-4-amine;N-naphthalen-1-yl-1-benzofuran-6-amine?

The canonical SMILES for 4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)aniline;1-N-dibenzothiophen-4-yl-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;N-dibenzothiophen-3-yldibenzofuran-4-amine;N-naphthalen-1-yl-1-benzofuran-6-amine is c1ccc(-c2cccc(N(c3cccc(Nc4cccc5c4sc4ccccc45)c3)c3cccc(-c4ccccc4)c3)c2)cc1.c1ccc2c(Nc3ccc4ccoc4c3)cccc2c1.c1ccc2c(c1)oc1c(Nc3ccc4c(c3)sc3ccccc34)cccc12.c1ccc2c(c1)oc1ccc(-c3ccc(Nc4ccc(-c5ccc6sc7ccccc7c6c5)cc4)cc3)cc12.

What is the InChIKey of 4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)aniline;1-N-dibenzothiophen-4-yl-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;N-dibenzothiophen-3-yldibenzofuran-4-amine;N-naphthalen-1-yl-1-benzofuran-6-amine?

The InChIKey is PWRJLGVYZOSSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2S.C36H23NOS.C24H15NOS.C18H13NO/c1-3-13-30(14-4-1)32-17-9-20-35(27-32)44(36-21-10-18-33(28-36)31-15-5-2-6-16-31)37-22-11-19-34(29-37)43-40-25-12-24-39-38-23-7-8-26-41(38)45-42(39)40;1-3-7-33-29(5-1)31-21-25(13-19-34(31)38-33)23-9-15-27(16-10-23)37-28-17-11-24(12-18-28)26-14-20-36-32(22-26)30-6-2-4-8-35(30)39-36;1-3-10-21-16(6-1)19-8-5-9-20(24(19)26-21)25-15-12-13-18-17-7-2-4-11-22(17)27-23(18)14-15;1-2-6-16-13(4-1)5-3-7-17(16)19-15-9-8-14-10-11-20-18(14)12-15/h1-29,43H;1-22,37H;1-14,25H;1-12,19H.

What are the key properties of 4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)aniline;1-N-dibenzothiophen-4-yl-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;N-dibenzothiophen-3-yldibenzofuran-4-amine;N-naphthalen-1-yl-1-benzofuran-6-amine?

4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)aniline;1-N-dibenzothiophen-4-yl-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;N-dibenzothiophen-3-yldibenzofuran-4-amine;N-naphthalen-1-yl-1-benzofuran-6-amine has a molecular weight of 1737.20 g/mol, XLogP of 36.66, 15 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)aniline;1-N-dibenzothiophen-4-yl-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;N-dibenzothiophen-3-yldibenzofuran-4-amine;N-naphthalen-1-yl-1-benzofuran-6-amine is sourced from PubChem (CID 165052493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).