3-N-(3,5-dimethylphenyl)-1-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[2,3-b][1]benzofuran-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[3,2-b][1]benzofuran-8-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine

C158H109N9O3 — CID 165003714

About 3-N-(3,5-dimethylphenyl)-1-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[2,3-b][1]benzofuran-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[3,2-b][1]benzofuran-8-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine

3-N-(3,5-dimethylphenyl)-1-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[2,3-b][1]benzofuran-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[3,2-b][1]benzofuran-8-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine (PubChem CID 165003714) has the molecular formula C158H109N9O3 and a molecular weight of 2181.67 g/mol. Its IUPAC name is 3-N-(3,5-dimethylphenyl)-1-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[2,3-b][1]benzofuran-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[3,2-b][1]benzofuran-8-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine.

Molecular Properties

• Compound Name: 3-N-(3,5-dimethylphenyl)-1-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[2,3-b][1]benzofuran-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[3,2-b][1]benzofuran-8-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
• PubChem CID: 165003714
• Molecular Formula: C158H109N9O3
• Molecular Weight: 2181.67 g/mol
• Exact Mass: 2179.87
• IUPAC Name: 3-N-(3,5-dimethylphenyl)-1-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[2,3-b][1]benzofuran-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[3,2-b][1]benzofuran-8-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
• SMILES: Cc1cc(C)cc(N(c2cccc(N(c3ccccc3)c3cccc4cc5oc6ccccc6c5cc34)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.c1ccc(N(c2cccc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)c2ccc3cc4c(cc3c2)oc2ccccc24)cc1.c1ccc(N(c2cccc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)c2ccc3cc4oc5ccccc5c4cc3c2)cc1
• InChI: InChI=1S/C54H39N3O.2C52H35N3O/c1-36-29-37(2)31-44(30-36)55(43-27-28-46-45-22-9-11-24-50(45)57(52(46)34-43)40-18-7-4-8-19-40)41-20-14-21-42(33-41)56(39-16-5-3-6-17-39)51-25-13-15-38-32-54-49(35-48(38)51)47-23-10-12-26-53(47)58-54;1-4-15-38(16-5-1)53(43-28-27-36-33-52-48(32-37(36)31-43)47-24-11-13-26-51(47)56-52)41-21-14-22-42(34-41)54(39-17-6-2-7-18-39)44-29-30-46-45-23-10-12-25-49(45)55(50(46)35-44)40-19-8-3-9-20-40;1-4-15-38(16-5-1)53(43-28-27-36-32-48-47-24-11-13-26-51(47)56-52(48)33-37(36)31-43)41-21-14-22-42(34-41)54(39-17-6-2-7-18-39)44-29-30-46-45-23-10-12-25-49(45)55(50(46)35-44)40-19-8-3-9-20-40/h3-35H,1-2H3;2*1-35H
• InChIKey: IQJBNDVJWSNJPX-UHFFFAOYSA-N
• XLogP: 44.94
• TPSA: 73.65 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2181.67
LogP ≤ 5	44.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,5-dimethylphenyl)-1-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[2,3-b][1]benzofuran-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[3,2-b][1]benzofuran-8-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine?

The IUPAC name of 3-N-(3,5-dimethylphenyl)-1-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[2,3-b][1]benzofuran-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[3,2-b][1]benzofuran-8-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine (CID 165003714) is 3-N-(3,5-dimethylphenyl)-1-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[2,3-b][1]benzofuran-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[3,2-b][1]benzofuran-8-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine.

What is the SMILES notation for 3-N-(3,5-dimethylphenyl)-1-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[2,3-b][1]benzofuran-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[3,2-b][1]benzofuran-8-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine?

The canonical SMILES for 3-N-(3,5-dimethylphenyl)-1-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[2,3-b][1]benzofuran-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[3,2-b][1]benzofuran-8-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine is Cc1cc(C)cc(N(c2cccc(N(c3ccccc3)c3cccc4cc5oc6ccccc6c5cc34)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.c1ccc(N(c2cccc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)c2ccc3cc4c(cc3c2)oc2ccccc24)cc1.c1ccc(N(c2cccc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)c2ccc3cc4oc5ccccc5c4cc3c2)cc1.

What is the InChIKey of 3-N-(3,5-dimethylphenyl)-1-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[2,3-b][1]benzofuran-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[3,2-b][1]benzofuran-8-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine?

The InChIKey is IQJBNDVJWSNJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N3O.2C52H35N3O/c1-36-29-37(2)31-44(30-36)55(43-27-28-46-45-22-9-11-24-50(45)57(52(46)34-43)40-18-7-4-8-19-40)41-20-14-21-42(33-41)56(39-16-5-3-6-17-39)51-25-13-15-38-32-54-49(35-48(38)51)47-23-10-12-26-53(47)58-54;1-4-15-38(16-5-1)53(43-28-27-36-33-52-48(32-37(36)31-43)47-24-11-13-26-51(47)56-52)41-21-14-22-42(34-41)54(39-17-6-2-7-18-39)44-29-30-46-45-23-10-12-25-49(45)55(50(46)35-44)40-19-8-3-9-20-40;1-4-15-38(16-5-1)53(43-28-27-36-32-48-47-24-11-13-26-51(47)56-52(48)33-37(36)31-43)41-21-14-22-42(34-41)54(39-17-6-2-7-18-39)44-29-30-46-45-23-10-12-25-49(45)55(50(46)35-44)40-19-8-3-9-20-40/h3-35H,1-2H3;2*1-35H.

What are the key properties of 3-N-(3,5-dimethylphenyl)-1-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[2,3-b][1]benzofuran-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[3,2-b][1]benzofuran-8-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine?

3-N-(3,5-dimethylphenyl)-1-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[2,3-b][1]benzofuran-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[3,2-b][1]benzofuran-8-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine has a molecular weight of 2181.67 g/mol, XLogP of 44.94, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-(3,5-dimethylphenyl)-1-N-naphtho[6,7-b][1]benzofuran-10-yl-1-N-phenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[2,3-b][1]benzofuran-9-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;1-N-naphtho[3,2-b][1]benzofuran-8-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 165003714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).