N-[6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-[6-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine;N-[6-[dibenzothiophen-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine

C175H118B3N3O4S2 — CID 159824663

About N-[6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-[6-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine;N-[6-[dibenzothiophen-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine

N-[6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-[6-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine;N-[6-[dibenzothiophen-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine (PubChem CID 159824663) has the molecular formula C175H118B3N3O4S2 and a molecular weight of 2423.46 g/mol. Its IUPAC name is N-[6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-[6-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine;N-[6-[dibenzothiophen-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-[6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-[6-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine;N-[6-[dibenzothiophen-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine
• PubChem CID: 159824663
• Molecular Formula: C175H118B3N3O4S2
• Molecular Weight: 2423.46 g/mol
• Exact Mass: 2421.88
• IUPAC Name: N-[6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-[6-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine;N-[6-[dibenzothiophen-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine
• SMILES: Cc1cc(C)c(B(c2ccc3ccc4c(N(c5ccc6c(c5)oc5ccccc56)c5ccccc5-c5ccccc5)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)c(C)c1.Cc1cc(C)c(B(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2sc2ccccc23)c(C)c1.Cc1ccccc1B(c1ccc2ccc3c(N(c4ccccc4-c4ccccc4)c4cccc5c4sc4ccccc45)ccc4ccc1c2c43)c1cccc2c1oc1ccccc12
• InChI: InChI=1S/C61H42BNO2.C59H38BNOS.C55H38BNOS/c1-37-34-38(2)60(39(3)35-37)62(52-20-13-19-48-46-18-9-12-23-56(46)65-61(48)52)51-32-26-41-25-30-50-54(33-27-42-24-29-49(51)58(41)59(42)50)63(53-21-10-7-16-44(53)40-14-5-4-6-15-40)43-28-31-47-45-17-8-11-22-55(45)64-57(47)36-43;1-37-15-5-9-23-48(37)60(50-24-13-21-44-42-19-7-11-27-54(42)62-58(44)50)49-35-31-39-30-34-47-52(36-32-40-29-33-46(49)56(39)57(40)47)61(51-25-10-6-18-41(51)38-16-3-2-4-17-38)53-26-14-22-45-43-20-8-12-28-55(43)63-59(45)53;1-33-31-34(2)53(35(3)32-33)56(46-19-11-18-42-40-16-8-10-22-50(40)59-55(42)46)45-29-25-36-24-28-44-47(30-26-37-23-27-43(45)51(36)52(37)44)57(38-13-5-4-6-14-38)48-20-12-17-41-39-15-7-9-21-49(39)58-54(41)48/h4-36H,1-3H3;2-36H,1H3;4-32H,1-3H3
• InChIKey: NMRIPHLQHFPFEW-UHFFFAOYSA-N
• XLogP: 43.54
• TPSA: 62.28 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 20
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2423.46
LogP ≤ 5	43.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-[6-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine;N-[6-[dibenzothiophen-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine?

The IUPAC name of N-[6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-[6-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine;N-[6-[dibenzothiophen-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine (CID 159824663) is N-[6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-[6-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine;N-[6-[dibenzothiophen-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine.

What is the SMILES notation for N-[6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-[6-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine;N-[6-[dibenzothiophen-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine?

The canonical SMILES for N-[6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-[6-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine;N-[6-[dibenzothiophen-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine is Cc1cc(C)c(B(c2ccc3ccc4c(N(c5ccc6c(c5)oc5ccccc56)c5ccccc5-c5ccccc5)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)c(C)c1.Cc1cc(C)c(B(c2ccc3ccc4c(N(c5ccccc5)c5cccc6c5oc5ccccc56)ccc5ccc2c3c54)c2cccc3c2sc2ccccc23)c(C)c1.Cc1ccccc1B(c1ccc2ccc3c(N(c4ccccc4-c4ccccc4)c4cccc5c4sc4ccccc45)ccc4ccc1c2c43)c1cccc2c1oc1ccccc12.

What is the InChIKey of N-[6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-[6-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine;N-[6-[dibenzothiophen-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine?

The InChIKey is NMRIPHLQHFPFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42BNO2.C59H38BNOS.C55H38BNOS/c1-37-34-38(2)60(39(3)35-37)62(52-20-13-19-48-46-18-9-12-23-56(46)65-61(48)52)51-32-26-41-25-30-50-54(33-27-42-24-29-49(51)58(41)59(42)50)63(53-21-10-7-16-44(53)40-14-5-4-6-15-40)43-28-31-47-45-17-8-11-22-55(45)64-57(47)36-43;1-37-15-5-9-23-48(37)60(50-24-13-21-44-42-19-7-11-27-54(42)62-58(44)50)49-35-31-39-30-34-47-52(36-32-40-29-33-46(49)56(39)57(40)47)61(51-25-10-6-18-41(51)38-16-3-2-4-17-38)53-26-14-22-45-43-20-8-12-28-55(43)63-59(45)53;1-33-31-34(2)53(35(3)32-33)56(46-19-11-18-42-40-16-8-10-22-50(40)59-55(42)46)45-29-25-36-24-28-44-47(30-26-37-23-27-43(45)51(36)52(37)44)57(38-13-5-4-6-14-38)48-20-12-17-41-39-15-7-9-21-49(39)58-54(41)48/h4-36H,1-3H3;2-36H,1H3;4-32H,1-3H3.

What are the key properties of N-[6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-[6-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine;N-[6-[dibenzothiophen-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine?

N-[6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-[6-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine;N-[6-[dibenzothiophen-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine has a molecular weight of 2423.46 g/mol, XLogP of 43.54, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[dibenzofuran-4-yl-(2-methylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzothiophen-4-amine;N-[6-[dibenzofuran-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine;N-[6-[dibenzothiophen-4-yl-(2,4,6-trimethylphenyl)boranyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 159824663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).