2-dibenzofuran-2-yl-N-[4-[4-(N-(2-dibenzofuran-2-yl-6-methylphenyl)-4-triphenylen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-triphenylen-2-ylphenyl)aniline

C100H68N2O2 — CID 121323341

About 2-dibenzofuran-2-yl-N-[4-[4-(N-(2-dibenzofuran-2-yl-6-methylphenyl)-4-triphenylen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-triphenylen-2-ylphenyl)aniline

2-dibenzofuran-2-yl-N-[4-[4-(N-(2-dibenzofuran-2-yl-6-methylphenyl)-4-triphenylen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-triphenylen-2-ylphenyl)aniline (PubChem CID 121323341) has the molecular formula C100H68N2O2 and a molecular weight of 1329.66 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-N-[4-[4-(N-(2-dibenzofuran-2-yl-6-methylphenyl)-4-triphenylen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-triphenylen-2-ylphenyl)aniline.

Molecular Properties

• Compound Name: 2-dibenzofuran-2-yl-N-[4-[4-(N-(2-dibenzofuran-2-yl-6-methylphenyl)-4-triphenylen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-triphenylen-2-ylphenyl)aniline
• PubChem CID: 121323341
• Molecular Formula: C100H68N2O2
• Molecular Weight: 1329.66 g/mol
• Exact Mass: 1328.53
• IUPAC Name: 2-dibenzofuran-2-yl-N-[4-[4-(N-(2-dibenzofuran-2-yl-6-methylphenyl)-4-triphenylen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-triphenylen-2-ylphenyl)aniline
• SMILES: Cc1cc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3c(C)cccc3-c3ccc4oc5ccccc5c4c3)c(C)c2)ccc1N(c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1)c1c(C)cccc1-c1ccc2oc3ccccc3c2c1
• InChI: InChI=1S/C100H68N2O2/c1-61-19-17-31-75(71-43-53-97-91(59-71)87-29-13-15-33-95(87)103-97)99(61)101(73-45-35-65(36-46-73)69-39-49-85-81-25-7-5-21-77(81)79-23-9-11-27-83(79)89(85)57-69)93-51-41-67(55-63(93)3)68-42-52-94(64(4)56-68)102(100-62(2)20-18-32-76(100)72-44-54-98-92(60-72)88-30-14-16-34-96(88)104-98)74-47-37-66(38-48-74)70-40-50-86-82-26-8-6-22-78(82)80-24-10-12-28-84(80)90(86)58-70/h5-60H,1-4H3
• InChIKey: ADSYRYGYTXRITG-UHFFFAOYSA-N
• XLogP: 28.91
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1329.66
LogP ≤ 5	28.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-N-[4-[4-(N-(2-dibenzofuran-2-yl-6-methylphenyl)-4-triphenylen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-triphenylen-2-ylphenyl)aniline?

The IUPAC name of 2-dibenzofuran-2-yl-N-[4-[4-(N-(2-dibenzofuran-2-yl-6-methylphenyl)-4-triphenylen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-triphenylen-2-ylphenyl)aniline (CID 121323341) is 2-dibenzofuran-2-yl-N-[4-[4-(N-(2-dibenzofuran-2-yl-6-methylphenyl)-4-triphenylen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-triphenylen-2-ylphenyl)aniline.

What is the SMILES notation for 2-dibenzofuran-2-yl-N-[4-[4-(N-(2-dibenzofuran-2-yl-6-methylphenyl)-4-triphenylen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-triphenylen-2-ylphenyl)aniline?

The canonical SMILES for 2-dibenzofuran-2-yl-N-[4-[4-(N-(2-dibenzofuran-2-yl-6-methylphenyl)-4-triphenylen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-triphenylen-2-ylphenyl)aniline is Cc1cc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c3c(C)cccc3-c3ccc4oc5ccccc5c4c3)c(C)c2)ccc1N(c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1)c1c(C)cccc1-c1ccc2oc3ccccc3c2c1.

What is the InChIKey of 2-dibenzofuran-2-yl-N-[4-[4-(N-(2-dibenzofuran-2-yl-6-methylphenyl)-4-triphenylen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-triphenylen-2-ylphenyl)aniline?

The InChIKey is ADSYRYGYTXRITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H68N2O2/c1-61-19-17-31-75(71-43-53-97-91(59-71)87-29-13-15-33-95(87)103-97)99(61)101(73-45-35-65(36-46-73)69-39-49-85-81-25-7-5-21-77(81)79-23-9-11-27-83(79)89(85)57-69)93-51-41-67(55-63(93)3)68-42-52-94(64(4)56-68)102(100-62(2)20-18-32-76(100)72-44-54-98-92(60-72)88-30-14-16-34-96(88)104-98)74-47-37-66(38-48-74)70-40-50-86-82-26-8-6-22-78(82)80-24-10-12-28-84(80)90(86)58-70/h5-60H,1-4H3.

What are the key properties of 2-dibenzofuran-2-yl-N-[4-[4-(N-(2-dibenzofuran-2-yl-6-methylphenyl)-4-triphenylen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-triphenylen-2-ylphenyl)aniline?

2-dibenzofuran-2-yl-N-[4-[4-(N-(2-dibenzofuran-2-yl-6-methylphenyl)-4-triphenylen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-triphenylen-2-ylphenyl)aniline has a molecular weight of 1329.66 g/mol, XLogP of 28.91, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-2-yl-N-[4-[4-(N-(2-dibenzofuran-2-yl-6-methylphenyl)-4-triphenylen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-6-methyl-N-(4-triphenylen-2-ylphenyl)aniline is sourced from PubChem (CID 121323341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).