8-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-8-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-2,8-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine

C126H83N7O2S3 — CID 161307551

About 8-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-8-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-2,8-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine

8-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-8-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-2,8-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine (PubChem CID 161307551) has the molecular formula C126H83N7O2S3 and a molecular weight of 1823.30 g/mol. Its IUPAC name is 8-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-8-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-2,8-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine.

Molecular Properties

• Compound Name: 8-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-8-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-2,8-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine
• PubChem CID: 161307551
• Molecular Formula: C126H83N7O2S3
• Molecular Weight: 1823.30 g/mol
• Exact Mass: 1821.58
• IUPAC Name: 8-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-8-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-2,8-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine
• SMILES: c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5oc6ccc(N(c7ccccc7)c7ccccc7)cc6c5c4)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccc5c(c4)c4cc(N(c6ccccc6)c6ccccc6)ccc4n5-c4cccc5c4sc4ccccc45)cc23)cc1
• InChI: InChI=1S/C66H44N4S2.C60H39N3O2S/c1-6-19-45(20-7-1)67(46-21-8-2-9-22-46)50-34-38-60-57(41-50)58-42-51(35-39-61(58)70(60)62-31-18-30-56-54-29-16-17-32-63(54)72-66(56)62)69(49-27-14-5-15-28-49)52-36-40-64-59(43-52)55-37-33-53(44-65(55)71-64)68(47-23-10-3-11-24-47)48-25-12-4-13-26-48;1-5-15-40(16-6-1)61(41-17-7-2-8-18-41)44-26-32-57-52(36-44)53-37-46(28-33-58(53)65-57)63(45-27-31-56-51(35-45)49-23-13-14-24-55(49)64-56)47-29-34-59-54(38-47)50-30-25-48(39-60(50)66-59)62(42-19-9-3-10-20-42)43-21-11-4-12-22-43/h1-44H;1-39H
• InChIKey: VILNWBQQINLTLC-UHFFFAOYSA-N
• XLogP: 38.19
• TPSA: 50.65 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1823.30
LogP ≤ 5	38.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 8-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-8-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-2,8-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine?

The IUPAC name of 8-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-8-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-2,8-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine (CID 161307551) is 8-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-8-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-2,8-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine.

What is the SMILES notation for 8-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-8-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-2,8-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine?

The canonical SMILES for 8-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-8-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-2,8-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5oc6ccc(N(c7ccccc7)c7ccccc7)cc6c5c4)cc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)sc2ccc(N(c4ccccc4)c4ccc5c(c4)c4cc(N(c6ccccc6)c6ccccc6)ccc4n5-c4cccc5c4sc4ccccc45)cc23)cc1.

What is the InChIKey of 8-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-8-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-2,8-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine?

The InChIKey is VILNWBQQINLTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N4S2.C60H39N3O2S/c1-6-19-45(20-7-1)67(46-21-8-2-9-22-46)50-34-38-60-57(41-50)58-42-51(35-39-61(58)70(60)62-31-18-30-56-54-29-16-17-32-63(54)72-66(56)62)69(49-27-14-5-15-28-49)52-36-40-64-59(43-52)55-37-33-53(44-65(55)71-64)68(47-23-10-3-11-24-47)48-25-12-4-13-26-48;1-5-15-40(16-6-1)61(41-17-7-2-8-18-41)44-26-32-57-52(36-44)53-37-46(28-33-58(53)65-57)63(45-27-31-56-51(35-45)49-23-13-14-24-55(49)64-56)47-29-34-59-54(38-47)50-30-25-48(39-60(50)66-59)62(42-19-9-3-10-20-42)43-21-11-4-12-22-43/h1-44H;1-39H.

What are the key properties of 8-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-8-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-2,8-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine?

8-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-8-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-2,8-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine has a molecular weight of 1823.30 g/mol, XLogP of 38.19, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-8-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]dibenzofuran-2,8-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine is sourced from PubChem (CID 161307551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).