4,9-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;5,10-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine

C124H80N4O4 — CID 159196755

About 4,9-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;5,10-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine

4,9-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;5,10-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine (PubChem CID 159196755) has the molecular formula C124H80N4O4 and a molecular weight of 1690.03 g/mol. Its IUPAC name is 4,9-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;5,10-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine.

Molecular Properties

• Compound Name: 4,9-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;5,10-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
• PubChem CID: 159196755
• Molecular Formula: C124H80N4O4
• Molecular Weight: 1690.03 g/mol
• Exact Mass: 1688.62
• IUPAC Name: 4,9-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;5,10-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
• SMILES: Cc1cc2c(N(c3ccccc3)c3cccc4c3oc3ccc5ccccc5c34)ccc3c(C)cc4c(N(c5ccccc5)c5cccc6c5oc5ccc7ccccc7c56)ccc1c4c32.Cc1cc2ccc(N(c3ccccc3)c3cccc4c3oc3ccc5ccccc5c34)c3c(C)cc4ccc(N(c5ccccc5)c5cccc6c5oc5ccc7ccccc7c56)c1c4c23
• InChI: InChI=1S/2C62H40N2O2/c1-37-35-49-51(63(41-17-5-3-6-18-41)53-25-13-23-47-57-45-21-11-9-15-39(45)27-33-55(57)65-61(47)53)32-30-44-38(2)36-50-52(31-29-43(37)59(50)60(44)49)64(42-19-7-4-8-20-42)54-26-14-24-48-58-46-22-12-10-16-40(46)28-34-56(58)66-62(48)54;1-37-35-41-27-32-50(64(44-19-7-4-8-20-44)52-26-14-24-48-60-46-22-12-10-16-40(46)30-34-54(60)66-62(48)52)56-38(2)36-42-28-31-49(55(37)57(42)58(41)56)63(43-17-5-3-6-18-43)51-25-13-23-47-59-45-21-11-9-15-39(45)29-33-53(59)65-61(47)51/h2*3-36H,1-2H3
• InChIKey: KOTJGAJJKAXMBY-UHFFFAOYSA-N
• XLogP: 36.49
• TPSA: 65.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1690.03
LogP ≤ 5	36.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,9-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;5,10-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine?

The IUPAC name of 4,9-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;5,10-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine (CID 159196755) is 4,9-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;5,10-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine.

What is the SMILES notation for 4,9-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;5,10-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine?

The canonical SMILES for 4,9-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;5,10-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine is Cc1cc2c(N(c3ccccc3)c3cccc4c3oc3ccc5ccccc5c34)ccc3c(C)cc4c(N(c5ccccc5)c5cccc6c5oc5ccc7ccccc7c56)ccc1c4c32.Cc1cc2ccc(N(c3ccccc3)c3cccc4c3oc3ccc5ccccc5c34)c3c(C)cc4ccc(N(c5ccccc5)c5cccc6c5oc5ccc7ccccc7c56)c1c4c23.

What is the InChIKey of 4,9-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;5,10-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine?

The InChIKey is KOTJGAJJKAXMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C62H40N2O2/c1-37-35-49-51(63(41-17-5-3-6-18-41)53-25-13-23-47-57-45-21-11-9-15-39(45)27-33-55(57)65-61(47)53)32-30-44-38(2)36-50-52(31-29-43(37)59(50)60(44)49)64(42-19-7-4-8-20-42)54-26-14-24-48-58-46-22-12-10-16-40(46)28-34-56(58)66-62(48)54;1-37-35-41-27-32-50(64(44-19-7-4-8-20-44)52-26-14-24-48-60-46-22-12-10-16-40(46)30-34-54(60)66-62(48)52)56-38(2)36-42-28-31-49(55(37)57(42)58(41)56)63(43-17-5-3-6-18-43)51-25-13-23-47-59-45-21-11-9-15-39(45)29-33-53(59)65-61(47)51/h2*3-36H,1-2H3.

What are the key properties of 4,9-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;5,10-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine?

4,9-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;5,10-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine has a molecular weight of 1690.03 g/mol, XLogP of 36.49, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4,9-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;5,10-dimethyl-1-N,6-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-1-N,6-N-diphenylpyrene-1,6-diamine is sourced from PubChem (CID 159196755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).