N-(9,9-dimethylfluoren-2-yl)-N-[4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]aniline;methane;N-phenyl-3-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-N-(4-phenylphenyl)aniline

C178H133N3OS3 — CID 163746668

About N-(9,9-dimethylfluoren-2-yl)-N-[4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]aniline;methane;N-phenyl-3-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-N-(4-phenylphenyl)aniline

N-(9,9-dimethylfluoren-2-yl)-N-[4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]aniline;methane;N-phenyl-3-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 163746668) has the molecular formula C178H133N3OS3 and a molecular weight of 2426.24 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]aniline;methane;N-phenyl-3-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-[4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]aniline;methane;N-phenyl-3-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-N-(4-phenylphenyl)aniline
• PubChem CID: 163746668
• Molecular Formula: C178H133N3OS3
• Molecular Weight: 2426.24 g/mol
• Exact Mass: 2423.96
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-[4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]aniline;methane;N-phenyl-3-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-N-(4-phenylphenyl)aniline
• SMILES: C.C.C.C.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc45)cc3)c3ccc4c(c3)oc3ccccc34)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5cccc6sc7ccc(C8(c9ccccc9)c9ccccc9-c9ccccc98)cc7c56)c4)c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccccc2-c2ccc3c(c2)sc2cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)ccc23)cc1
• InChI: InChI=1S/C64H43NOS.C61H41NS.C49H33NS.4CH4/c1-63(2)55-20-10-6-16-47(55)50-34-30-45(38-58(50)63)65(46-31-35-52-51-19-9-13-23-59(51)66-60(52)39-46)44-28-24-40(25-29-44)41-26-32-53-54-33-27-43(37-62(54)67-61(53)36-41)64(42-14-4-3-5-15-42)56-21-11-7-17-48(56)49-18-8-12-22-57(49)64;1-4-17-42(18-5-1)43-33-36-50(37-34-43)62(49-24-8-3-9-25-49)51-26-15-20-45(40-51)44-19-14-21-46(39-44)52-29-16-32-59-60(52)55-41-48(35-38-58(55)63-59)61(47-22-6-2-7-23-47)56-30-12-10-27-53(56)54-28-11-13-31-57(54)61;1-4-16-35(17-5-1)49(44-25-13-10-23-40(44)41-24-11-14-26-45(41)49)36-29-31-43-42-30-28-34(32-47(42)51-48(43)33-36)39-22-12-15-27-46(39)50(37-18-6-2-7-19-37)38-20-8-3-9-21-38;;;;/h3-39H,1-2H3;1-41H;1-33H;4*1H4
• InChIKey: LMLVCPNQBWKXQK-UHFFFAOYSA-N
• XLogP: 50.75
• TPSA: 22.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 20
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2426.24
LogP ≤ 5	50.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]aniline;methane;N-phenyl-3-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-N-(4-phenylphenyl)aniline?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]aniline;methane;N-phenyl-3-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-N-(4-phenylphenyl)aniline (CID 163746668) is N-(9,9-dimethylfluoren-2-yl)-N-[4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]aniline;methane;N-phenyl-3-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-N-(4-phenylphenyl)aniline.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]aniline;methane;N-phenyl-3-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-N-(4-phenylphenyl)aniline?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]aniline;methane;N-phenyl-3-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-N-(4-phenylphenyl)aniline is C.C.C.C.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc45)cc3)c3ccc4c(c3)oc3ccccc34)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cccc(-c5cccc6sc7ccc(C8(c9ccccc9)c9ccccc9-c9ccccc98)cc7c56)c4)c3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccccc2-c2ccc3c(c2)sc2cc(C4(c5ccccc5)c5ccccc5-c5ccccc54)ccc23)cc1.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]aniline;methane;N-phenyl-3-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-N-(4-phenylphenyl)aniline?

The InChIKey is LMLVCPNQBWKXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NOS.C61H41NS.C49H33NS.4CH4/c1-63(2)55-20-10-6-16-47(55)50-34-30-45(38-58(50)63)65(46-31-35-52-51-19-9-13-23-59(51)66-60(52)39-46)44-28-24-40(25-29-44)41-26-32-53-54-33-27-43(37-62(54)67-61(53)36-41)64(42-14-4-3-5-15-42)56-21-11-7-17-48(56)49-18-8-12-22-57(49)64;1-4-17-42(18-5-1)43-33-36-50(37-34-43)62(49-24-8-3-9-25-49)51-26-15-20-45(40-51)44-19-14-21-46(39-44)52-29-16-32-59-60(52)55-41-48(35-38-58(55)63-59)61(47-22-6-2-7-23-47)56-30-12-10-27-53(56)54-28-11-13-31-57(54)61;1-4-16-35(17-5-1)49(44-25-13-10-23-40(44)41-24-11-14-26-45(41)49)36-29-31-43-42-30-28-34(32-47(42)51-48(43)33-36)39-22-12-15-27-46(39)50(37-18-6-2-7-19-37)38-20-8-3-9-21-38;;;;/h3-39H,1-2H3;1-41H;1-33H;4*1H4.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]aniline;methane;N-phenyl-3-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-N-(4-phenylphenyl)aniline?

N-(9,9-dimethylfluoren-2-yl)-N-[4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]aniline;methane;N-phenyl-3-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 2426.24 g/mol, XLogP of 50.75, 20 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]dibenzofuran-3-amine;N,N-diphenyl-2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]aniline;methane;N-phenyl-3-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 163746668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).