3-N-dibenzofuran-2-yl-5-dibenzothiophen-3-yl-1-N-phenanthren-9-yl-1-N-phenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine;3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(3,5-diphenylphenyl)-1-N-naphthalen-2-yl-1-N,5-diphenyl-3-N-[4-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine

C288H188N12OS6 — CID 159660047

About 3-N-dibenzofuran-2-yl-5-dibenzothiophen-3-yl-1-N-phenanthren-9-yl-1-N-phenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine;3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(3,5-diphenylphenyl)-1-N-naphthalen-2-yl-1-N,5-diphenyl-3-N-[4-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine

3-N-dibenzofuran-2-yl-5-dibenzothiophen-3-yl-1-N-phenanthren-9-yl-1-N-phenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine;3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(3,5-diphenylphenyl)-1-N-naphthalen-2-yl-1-N,5-diphenyl-3-N-[4-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine (PubChem CID 159660047) has the molecular formula C288H188N12OS6 and a molecular weight of 4025.16 g/mol. Its IUPAC name is 3-N-dibenzofuran-2-yl-5-dibenzothiophen-3-yl-1-N-phenanthren-9-yl-1-N-phenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine;3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(3,5-diphenylphenyl)-1-N-naphthalen-2-yl-1-N,5-diphenyl-3-N-[4-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine.

Molecular Properties

• Compound Name: 3-N-dibenzofuran-2-yl-5-dibenzothiophen-3-yl-1-N-phenanthren-9-yl-1-N-phenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine;3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(3,5-diphenylphenyl)-1-N-naphthalen-2-yl-1-N,5-diphenyl-3-N-[4-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine
• PubChem CID: 159660047
• Molecular Formula: C288H188N12OS6
• Molecular Weight: 4025.16 g/mol
• Exact Mass: 4021.34
• IUPAC Name: 3-N-dibenzofuran-2-yl-5-dibenzothiophen-3-yl-1-N-phenanthren-9-yl-1-N-phenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine;3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(3,5-diphenylphenyl)-1-N-naphthalen-2-yl-1-N,5-diphenyl-3-N-[4-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4cccc5c4sc4ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc45)cc3)c3cc(-c4ccccc4)cc(N(c4ccccc4)c4ccc5ccccc5c4)c3)c2)cc1.c1ccc(-c2ccc(N(c3cccc(N(c4ccccc4)c4ccccc4)c3)c3cccc4c3sc3ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc34)cc2)cc1.c1ccc(N(c2cc(-c3ccc4c(c3)sc3ccccc34)cc(N(c3cccc(-c4cccc5c4sc4ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc45)c3)c3ccc4oc5ccccc5c4c3)c2)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2cccc(N(c3ccc4c(c3)sc3ccccc34)c3cccc4c3sc3ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc34)c2)cc1
• InChI: InChI=1S/C86H53N3OS2.C82H55N3S.C60H39N3S2.C60H41N3S/c1-3-21-60(22-4-1)88(79-50-58-19-7-8-26-66(58)68-27-9-10-28-69(68)79)65-47-59(56-38-42-74-73-31-13-16-36-83(73)91-85(74)51-56)46-64(52-65)87(63-40-43-82-76(53-63)72-30-12-15-35-81(72)90-82)62-25-17-20-57(45-62)67-32-18-33-75-77-48-54(39-44-84(77)92-86(67)75)55-37-41-71-70-29-11-14-34-78(70)89(80(71)49-55)61-23-5-2-6-24-61;1-6-21-56(22-7-1)64-47-65(57-23-8-2-9-24-57)50-71(49-64)84(73-52-66(58-25-10-3-11-26-58)51-72(55-73)83(67-29-12-4-13-30-67)70-44-37-59-27-16-17-28-61(59)48-70)69-42-38-60(39-43-69)74-34-20-35-77-78-53-62(41-46-81(78)86-82(74)77)63-40-45-76-75-33-18-19-36-79(75)85(80(76)54-63)68-31-14-5-15-32-68;1-4-16-42(17-5-1)61(43-18-6-2-7-19-43)45-22-14-23-46(38-45)62(47-32-34-51-50-25-11-13-29-57(50)64-59(51)39-47)55-28-15-26-52-53-36-40(31-35-58(53)65-60(52)55)41-30-33-49-48-24-10-12-27-54(48)63(56(49)37-41)44-20-8-3-9-21-44;1-5-17-42(18-6-1)43-31-35-49(36-32-43)62(51-26-15-25-50(41-51)61(46-19-7-2-8-20-46)47-21-9-3-10-22-47)57-30-16-28-54-55-39-44(34-38-59(55)64-60(54)57)45-33-37-53-52-27-13-14-29-56(52)63(58(53)40-45)48-23-11-4-12-24-48/h1-53H;1-55H;1-39H;1-41H
• InChIKey: MSRKJADWPZXGKM-UHFFFAOYSA-N
• XLogP: 84.80
• TPSA: 58.78 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 39
• Heavy Atoms: 307
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4025.16
LogP ≤ 5	84.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-2-yl-5-dibenzothiophen-3-yl-1-N-phenanthren-9-yl-1-N-phenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine;3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(3,5-diphenylphenyl)-1-N-naphthalen-2-yl-1-N,5-diphenyl-3-N-[4-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine?

The IUPAC name of 3-N-dibenzofuran-2-yl-5-dibenzothiophen-3-yl-1-N-phenanthren-9-yl-1-N-phenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine;3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(3,5-diphenylphenyl)-1-N-naphthalen-2-yl-1-N,5-diphenyl-3-N-[4-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine (CID 159660047) is 3-N-dibenzofuran-2-yl-5-dibenzothiophen-3-yl-1-N-phenanthren-9-yl-1-N-phenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine;3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(3,5-diphenylphenyl)-1-N-naphthalen-2-yl-1-N,5-diphenyl-3-N-[4-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine.

What is the SMILES notation for 3-N-dibenzofuran-2-yl-5-dibenzothiophen-3-yl-1-N-phenanthren-9-yl-1-N-phenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine;3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(3,5-diphenylphenyl)-1-N-naphthalen-2-yl-1-N,5-diphenyl-3-N-[4-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine?

The canonical SMILES for 3-N-dibenzofuran-2-yl-5-dibenzothiophen-3-yl-1-N-phenanthren-9-yl-1-N-phenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine;3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(3,5-diphenylphenyl)-1-N-naphthalen-2-yl-1-N,5-diphenyl-3-N-[4-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4cccc5c4sc4ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc45)cc3)c3cc(-c4ccccc4)cc(N(c4ccccc4)c4ccc5ccccc5c4)c3)c2)cc1.c1ccc(-c2ccc(N(c3cccc(N(c4ccccc4)c4ccccc4)c3)c3cccc4c3sc3ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc34)cc2)cc1.c1ccc(N(c2cc(-c3ccc4c(c3)sc3ccccc34)cc(N(c3cccc(-c4cccc5c4sc4ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc45)c3)c3ccc4oc5ccccc5c4c3)c2)c2cc3ccccc3c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2cccc(N(c3ccc4c(c3)sc3ccccc34)c3cccc4c3sc3ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc34)c2)cc1.

What is the InChIKey of 3-N-dibenzofuran-2-yl-5-dibenzothiophen-3-yl-1-N-phenanthren-9-yl-1-N-phenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine;3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(3,5-diphenylphenyl)-1-N-naphthalen-2-yl-1-N,5-diphenyl-3-N-[4-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine?

The InChIKey is MSRKJADWPZXGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H53N3OS2.C82H55N3S.C60H39N3S2.C60H41N3S/c1-3-21-60(22-4-1)88(79-50-58-19-7-8-26-66(58)68-27-9-10-28-69(68)79)65-47-59(56-38-42-74-73-31-13-16-36-83(73)91-85(74)51-56)46-64(52-65)87(63-40-43-82-76(53-63)72-30-12-15-35-81(72)90-82)62-25-17-20-57(45-62)67-32-18-33-75-77-48-54(39-44-84(77)92-86(67)75)55-37-41-71-70-29-11-14-34-78(70)89(80(71)49-55)61-23-5-2-6-24-61;1-6-21-56(22-7-1)64-47-65(57-23-8-2-9-24-57)50-71(49-64)84(73-52-66(58-25-10-3-11-26-58)51-72(55-73)83(67-29-12-4-13-30-67)70-44-37-59-27-16-17-28-61(59)48-70)69-42-38-60(39-43-69)74-34-20-35-77-78-53-62(41-46-81(78)86-82(74)77)63-40-45-76-75-33-18-19-36-79(75)85(80(76)54-63)68-31-14-5-15-32-68;1-4-16-42(17-5-1)61(43-18-6-2-7-19-43)45-22-14-23-46(38-45)62(47-32-34-51-50-25-11-13-29-57(50)64-59(51)39-47)55-28-15-26-52-53-36-40(31-35-58(53)65-60(52)55)41-30-33-49-48-24-10-12-27-54(48)63(56(49)37-41)44-20-8-3-9-21-44;1-5-17-42(18-6-1)43-31-35-49(36-32-43)62(51-26-15-25-50(41-51)61(46-19-7-2-8-20-46)47-21-9-3-10-22-47)57-30-16-28-54-55-39-44(34-38-59(55)64-60(54)57)45-33-37-53-52-27-13-14-29-56(52)63(58(53)40-45)48-23-11-4-12-24-48/h1-53H;1-55H;1-39H;1-41H.

What are the key properties of 3-N-dibenzofuran-2-yl-5-dibenzothiophen-3-yl-1-N-phenanthren-9-yl-1-N-phenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine;3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(3,5-diphenylphenyl)-1-N-naphthalen-2-yl-1-N,5-diphenyl-3-N-[4-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine?

3-N-dibenzofuran-2-yl-5-dibenzothiophen-3-yl-1-N-phenanthren-9-yl-1-N-phenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine;3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(3,5-diphenylphenyl)-1-N-naphthalen-2-yl-1-N,5-diphenyl-3-N-[4-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine has a molecular weight of 4025.16 g/mol, XLogP of 84.80, 39 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-dibenzofuran-2-yl-5-dibenzothiophen-3-yl-1-N-phenanthren-9-yl-1-N-phenyl-3-N-[3-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine;3-N-dibenzothiophen-3-yl-1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]benzene-1,3-diamine;1-N,1-N-diphenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]-3-N-(4-phenylphenyl)benzene-1,3-diamine;3-N-(3,5-diphenylphenyl)-1-N-naphthalen-2-yl-1-N,5-diphenyl-3-N-[4-[8-(9-phenylcarbazol-2-yl)dibenzothiophen-4-yl]phenyl]benzene-1,3-diamine is sourced from PubChem (CID 159660047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).