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-naphtho[3,2-b][1]benzofuran-11-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;3-N-naphtho[1,2-b][1]benzofuran-7-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzene-1,3-diamine

C287H193N15O6 — CID 165056625

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-naphtho[3,2-b][1]benzofuran-11-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;3-N-naphtho[1,2-b][1]benzofuran-7-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)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;3-N-naphtho[3,2-b][1]benzofuran-11-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;3-N-naphtho[1,2-b][1]benzofuran-7-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzene-1,3-diamine (PubChem CID 165056625) has the molecular formula C287H193N15O6 and a molecular weight of 3947.80 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;3-N-naphtho[3,2-b][1]benzofuran-11-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;3-N-naphtho[1,2-b][1]benzofuran-7-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)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;3-N-naphtho[3,2-b][1]benzofuran-11-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;3-N-naphtho[1,2-b][1]benzofuran-7-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzene-1,3-diamine
• PubChem CID: 165056625
• Molecular Formula: C287H193N15O6
• Molecular Weight: 3947.80 g/mol
• Exact Mass: 3944.53
• 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;3-N-naphtho[3,2-b][1]benzofuran-11-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;3-N-naphtho[1,2-b][1]benzofuran-7-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzene-1,3-diamine
• SMILES: Cc1cc(C)cc(N(c2cccc(N(c3ccccc3)c3cccc4cc5oc6ccccc6c5cc34)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.c1ccc(N(c2cccc(N(c3ccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3cccc4oc5c6ccccc6ccc5c34)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2cccc(N(c3ccccc3)c3c4ccccc4cc4oc5ccccc5c34)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.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/C77H49N3O2.C54H39N3O.3C52H35N3O/c1-3-20-53(21-4-1)78(58-43-45-63-62-29-11-15-33-69(62)80(71(63)49-58)54-22-5-2-6-23-54)56-24-17-25-57(48-56)79(70-34-18-36-73-75(70)64-44-39-51-19-7-8-26-59(51)76(64)82-73)55-41-37-50(38-42-55)52-40-46-68-74(47-52)81-72-35-16-14-32-67(72)77(68)65-30-12-9-27-60(65)61-28-10-13-31-66(61)77;1-36-29-37(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;1-4-18-37(19-5-1)53(42-31-32-45-44-27-12-14-29-47(44)55(48(45)35-42)39-22-8-3-9-23-39)40-24-16-25-41(34-40)54(38-20-6-2-7-21-38)52-43-26-11-10-17-36(43)33-50-51(52)46-28-13-15-30-49(46)56-50/h1-49H;3-35H,1-2H3;3*1-35H
• InChIKey: QNOBWCUVHKBYOL-UHFFFAOYSA-N
• XLogP: 80.63
• TPSA: 131.98 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 36
• Heavy Atoms: 308
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3947.80
LogP ≤ 5	80.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

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;3-N-naphtho[3,2-b][1]benzofuran-11-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;3-N-naphtho[1,2-b][1]benzofuran-7-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)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;3-N-naphtho[3,2-b][1]benzofuran-11-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;3-N-naphtho[1,2-b][1]benzofuran-7-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzene-1,3-diamine (CID 165056625) 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;3-N-naphtho[3,2-b][1]benzofuran-11-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;3-N-naphtho[1,2-b][1]benzofuran-7-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)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;3-N-naphtho[3,2-b][1]benzofuran-11-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;3-N-naphtho[1,2-b][1]benzofuran-7-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)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;3-N-naphtho[3,2-b][1]benzofuran-11-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;3-N-naphtho[1,2-b][1]benzofuran-7-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzene-1,3-diamine is Cc1cc(C)cc(N(c2cccc(N(c3ccccc3)c3cccc4cc5oc6ccccc6c5cc34)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1.c1ccc(N(c2cccc(N(c3ccc(-c4ccc5c(c4)Oc4ccccc4C54c5ccccc5-c5ccccc54)cc3)c3cccc4oc5c6ccccc6ccc5c34)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(N(c2cccc(N(c3ccccc3)c3c4ccccc4cc4oc5ccccc5c34)c2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.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;3-N-naphtho[3,2-b][1]benzofuran-11-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;3-N-naphtho[1,2-b][1]benzofuran-7-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzene-1,3-diamine?

The InChIKey is QNOBWCUVHKBYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H49N3O2.C54H39N3O.3C52H35N3O/c1-3-20-53(21-4-1)78(58-43-45-63-62-29-11-15-33-69(62)80(71(63)49-58)54-22-5-2-6-23-54)56-24-17-25-57(48-56)79(70-34-18-36-73-75(70)64-44-39-51-19-7-8-26-59(51)76(64)82-73)55-41-37-50(38-42-55)52-40-46-68-74(47-52)81-72-35-16-14-32-67(72)77(68)65-30-12-9-27-60(65)61-28-10-13-31-66(61)77;1-36-29-37(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;1-4-18-37(19-5-1)53(42-31-32-45-44-27-12-14-29-47(44)55(48(45)35-42)39-22-8-3-9-23-39)40-24-16-25-41(34-40)54(38-20-6-2-7-21-38)52-43-26-11-10-17-36(43)33-50-51(52)46-28-13-15-30-49(46)56-50/h1-49H;3-35H,1-2H3;3*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-naphtho[3,2-b][1]benzofuran-11-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;3-N-naphtho[1,2-b][1]benzofuran-7-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)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;3-N-naphtho[3,2-b][1]benzofuran-11-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;3-N-naphtho[1,2-b][1]benzofuran-7-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzene-1,3-diamine has a molecular weight of 3947.80 g/mol, XLogP of 80.63, 36 rotatable bonds, 0 hydrogen bond donors, and 21 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;3-N-naphtho[3,2-b][1]benzofuran-11-yl-1-N,3-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine;3-N-naphtho[1,2-b][1]benzofuran-7-yl-1-N-phenyl-1-N-(9-phenylcarbazol-2-yl)-3-N-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 165056625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).