N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(2,3,4,6-tetradeuterio-5-phenylphenyl)phenyl]dibenzofuran-1-amine;2,3,4,6,7,8,9-heptadeuterio-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine

C94H60N2O3S — CID 160938052

About N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(2,3,4,6-tetradeuterio-5-phenylphenyl)phenyl]dibenzofuran-1-amine;2,3,4,6,7,8,9-heptadeuterio-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine

N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(2,3,4,6-tetradeuterio-5-phenylphenyl)phenyl]dibenzofuran-1-amine;2,3,4,6,7,8,9-heptadeuterio-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine (PubChem CID 160938052) has the molecular formula C94H60N2O3S and a molecular weight of 1308.66 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(2,3,4,6-tetradeuterio-5-phenylphenyl)phenyl]dibenzofuran-1-amine;2,3,4,6,7,8,9-heptadeuterio-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

• Compound Name: N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(2,3,4,6-tetradeuterio-5-phenylphenyl)phenyl]dibenzofuran-1-amine;2,3,4,6,7,8,9-heptadeuterio-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
• PubChem CID: 160938052
• Molecular Formula: C94H60N2O3S
• Molecular Weight: 1308.66 g/mol
• Exact Mass: 1307.50
• IUPAC Name: N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(2,3,4,6-tetradeuterio-5-phenylphenyl)phenyl]dibenzofuran-1-amine;2,3,4,6,7,8,9-heptadeuterio-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
• SMILES: [2H]c1c([2H])c(-c2ccccc2)c([2H])c(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3cccc4oc5ccccc5c34)cc2)c1[2H].[2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c([2H])c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)c32)c1[2H]
• InChI: InChI=1S/C48H31NOS.C46H29NO2/c1-2-10-32(11-3-1)35-12-8-13-36(30-35)33-20-25-38(26-21-33)49(43-16-9-18-45-48(43)41-15-4-6-17-44(41)50-45)39-27-22-34(23-28-39)37-24-29-47-42(31-37)40-14-5-7-19-46(40)51-47;1-2-12-35-30(10-1)11-7-15-36(35)31-22-26-33(27-23-31)47(41-18-9-21-44-45(41)40-14-4-6-20-43(40)48-44)34-28-24-32(25-29-34)37-16-8-17-39-38-13-3-5-19-42(38)49-46(37)39/h1-31H;1-29H/i8D,12D,13D,30D;4D,6D,9D,14D,18D,20D,21D
• InChIKey: SUDCVGVPOZTSSX-BQSJEMNWSA-N
• XLogP: 27.87
• TPSA: 45.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1308.66
LogP ≤ 5	27.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(2,3,4,6-tetradeuterio-5-phenylphenyl)phenyl]dibenzofuran-1-amine;2,3,4,6,7,8,9-heptadeuterio-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine?

The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(2,3,4,6-tetradeuterio-5-phenylphenyl)phenyl]dibenzofuran-1-amine;2,3,4,6,7,8,9-heptadeuterio-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine (CID 160938052) is N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(2,3,4,6-tetradeuterio-5-phenylphenyl)phenyl]dibenzofuran-1-amine;2,3,4,6,7,8,9-heptadeuterio-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine.

What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(2,3,4,6-tetradeuterio-5-phenylphenyl)phenyl]dibenzofuran-1-amine;2,3,4,6,7,8,9-heptadeuterio-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine?

The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(2,3,4,6-tetradeuterio-5-phenylphenyl)phenyl]dibenzofuran-1-amine;2,3,4,6,7,8,9-heptadeuterio-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine is [2H]c1c([2H])c(-c2ccccc2)c([2H])c(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3cccc4oc5ccccc5c34)cc2)c1[2H].[2H]c1c([2H])c([2H])c2c(oc3c([2H])c([2H])c([2H])c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)c32)c1[2H].

What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(2,3,4,6-tetradeuterio-5-phenylphenyl)phenyl]dibenzofuran-1-amine;2,3,4,6,7,8,9-heptadeuterio-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine?

The InChIKey is SUDCVGVPOZTSSX-BQSJEMNWSA-N. The full InChI is InChI=1S/C48H31NOS.C46H29NO2/c1-2-10-32(11-3-1)35-12-8-13-36(30-35)33-20-25-38(26-21-33)49(43-16-9-18-45-48(43)41-15-4-6-17-44(41)50-45)39-27-22-34(23-28-39)37-24-29-47-42(31-37)40-14-5-7-19-46(40)51-47;1-2-12-35-30(10-1)11-7-15-36(35)31-22-26-33(27-23-31)47(41-18-9-21-44-45(41)40-14-4-6-20-43(40)48-44)34-28-24-32(25-29-34)37-16-8-17-39-38-13-3-5-19-42(38)49-46(37)39/h1-31H;1-29H/i8D,12D,13D,30D;4D,6D,9D,14D,18D,20D,21D.

What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(2,3,4,6-tetradeuterio-5-phenylphenyl)phenyl]dibenzofuran-1-amine;2,3,4,6,7,8,9-heptadeuterio-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine?

N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(2,3,4,6-tetradeuterio-5-phenylphenyl)phenyl]dibenzofuran-1-amine;2,3,4,6,7,8,9-heptadeuterio-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine has a molecular weight of 1308.66 g/mol, XLogP of 27.87, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(2,3,4,6-tetradeuterio-5-phenylphenyl)phenyl]dibenzofuran-1-amine;2,3,4,6,7,8,9-heptadeuterio-N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 160938052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).