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

C126H83N7O3S2 — CID 158809298

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

2-N-dibenzofuran-2-yl-7-N,7-N-diphenyl-2-N-[8-(N-phenylanilino)dibenzofuran-2-yl]dibenzofuran-2,7-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 158809298) has the molecular formula C126H83N7O3S2 and a molecular weight of 1807.23 g/mol. Its IUPAC name is 2-N-dibenzofuran-2-yl-7-N,7-N-diphenyl-2-N-[8-(N-phenylanilino)dibenzofuran-2-yl]dibenzofuran-2,7-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: 2-N-dibenzofuran-2-yl-7-N,7-N-diphenyl-2-N-[8-(N-phenylanilino)dibenzofuran-2-yl]dibenzofuran-2,7-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: 158809298
• Molecular Formula: C126H83N7O3S2
• Molecular Weight: 1807.23 g/mol
• Exact Mass: 1805.60
• IUPAC Name: 2-N-dibenzofuran-2-yl-7-N,7-N-diphenyl-2-N-[8-(N-phenylanilino)dibenzofuran-2-yl]dibenzofuran-2,7-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)oc2ccc(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.C60H39N3O3/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)44-26-33-58-53(37-44)54-38-47(29-34-59(54)65-58)63(45-27-31-56-51(35-45)49-23-13-14-24-55(49)64-56)46-28-32-57-52(36-46)50-30-25-48(39-60(50)66-57)62(42-19-9-3-10-20-42)43-21-11-4-12-22-43/h1-44H;1-39H
• InChIKey: IULYZUBQXKETPP-UHFFFAOYSA-N
• XLogP: 37.72
• TPSA: 63.79 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 19
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1807.23
LogP ≤ 5	37.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-N-dibenzofuran-2-yl-7-N,7-N-diphenyl-2-N-[8-(N-phenylanilino)dibenzofuran-2-yl]dibenzofuran-2,7-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 2-N-dibenzofuran-2-yl-7-N,7-N-diphenyl-2-N-[8-(N-phenylanilino)dibenzofuran-2-yl]dibenzofuran-2,7-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 158809298) is 2-N-dibenzofuran-2-yl-7-N,7-N-diphenyl-2-N-[8-(N-phenylanilino)dibenzofuran-2-yl]dibenzofuran-2,7-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 2-N-dibenzofuran-2-yl-7-N,7-N-diphenyl-2-N-[8-(N-phenylanilino)dibenzofuran-2-yl]dibenzofuran-2,7-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 2-N-dibenzofuran-2-yl-7-N,7-N-diphenyl-2-N-[8-(N-phenylanilino)dibenzofuran-2-yl]dibenzofuran-2,7-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)oc2ccc(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 2-N-dibenzofuran-2-yl-7-N,7-N-diphenyl-2-N-[8-(N-phenylanilino)dibenzofuran-2-yl]dibenzofuran-2,7-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 IULYZUBQXKETPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N4S2.C60H39N3O3/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)44-26-33-58-53(37-44)54-38-47(29-34-59(54)65-58)63(45-27-31-56-51(35-45)49-23-13-14-24-55(49)64-56)46-28-32-57-52(36-46)50-30-25-48(39-60(50)66-57)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 2-N-dibenzofuran-2-yl-7-N,7-N-diphenyl-2-N-[8-(N-phenylanilino)dibenzofuran-2-yl]dibenzofuran-2,7-diamine;9-dibenzothiophen-4-yl-3-N,3-N,6-N-triphenyl-6-N-[7-(N-phenylanilino)dibenzothiophen-2-yl]carbazole-3,6-diamine?

2-N-dibenzofuran-2-yl-7-N,7-N-diphenyl-2-N-[8-(N-phenylanilino)dibenzofuran-2-yl]dibenzofuran-2,7-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 1807.23 g/mol, XLogP of 37.72, 19 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-dibenzofuran-2-yl-7-N,7-N-diphenyl-2-N-[8-(N-phenylanilino)dibenzofuran-2-yl]dibenzofuran-2,7-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 158809298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).