3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine

C231H170N6S — CID 163582431

IUPAC3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccc(-c6ccccc6)cc4)c4cccc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)c4-5)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccc(-c6ccccc6)cc4)c4cccc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)c4-5)c3)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccc(-c6ccccc6)cc4)c4ccccc4-5)cc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/2C79H60N2.C73H50N2S/c1-77(2)69-35-19-17-33-64(69)66-47-44-62(51-72(66)77)80(59-28-13-7-14-29-59)61-32-21-25-55(49-61)56-41-46-68-74(50-56)79(57-26-11-6-12-27-57,58-42-39-54(40-43-58)53-23-9-5-10-24-53)71-37-22-38-75(76(68)71)81(60-30-15-8-16-31-60)63-45-48-67-65-34-18-20-36-70(65)78(3,4)73(67)52-63;1-77(2)69-32-19-17-30-64(69)66-48-45-62(51-72(66)77)80(59-26-13-7-14-27-59)61-43-38-55(39-44-61)56-40-47-68-74(50-56)79(57-24-11-6-12-25-57,58-41-36-54(37-42-58)53-22-9-5-10-23-53)71-34-21-35-75(76(68)71)81(60-28-15-8-16-29-60)63-46-49-67-65-31-18-20-33-70(65)78(3,4)73(67)52-63;1-6-20-51(21-7-1)53-34-39-58(40-35-53)73(57-24-10-3-11-25-57)69-32-18-16-30-65(69)66-44-38-55(48-70(66)73)56-46-63(74(59-26-12-4-13-27-59)61-41-36-54(37-42-61)52-22-8-2-9-23-52)49-64(47-56)75(60-28-14-5-15-29-60)62-43-45-72-68(50-62)67-31-17-19-33-71(67)76-72/h2*5-52H,1-4H3;1-50H
InChIKeyGIRJDZKHESVRPL-UHFFFAOYSA-N
MW3062.01 g/mol
LogP62.23
Rot. Bonds31

About 3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine

3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine (PubChem CID 163582431) has the molecular formula C231H170N6S and a molecular weight of 3062.01 g/mol. Its IUPAC name is 3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound Name3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
PubChem CID163582431
Molecular FormulaC231H170N6S
Molecular Weight3062.01 g/mol
Exact Mass3059.32
IUPAC Name3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccc(-c6ccccc6)cc4)c4cccc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)c4-5)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccc(-c6ccccc6)cc4)c4cccc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)c4-5)c3)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccc(-c6ccccc6)cc4)c4ccccc4-5)cc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/2C79H60N2.C73H50N2S/c1-77(2)69-35-19-17-33-64(69)66-47-44-62(51-72(66)77)80(59-28-13-7-14-29-59)61-32-21-25-55(49-61)56-41-46-68-74(50-56)79(57-26-11-6-12-27-57,58-42-39-54(40-43-58)53-23-9-5-10-24-53)71-37-22-38-75(76(68)71)81(60-30-15-8-16-31-60)63-45-48-67-65-34-18-20-36-70(65)78(3,4)73(67)52-63;1-77(2)69-32-19-17-30-64(69)66-48-45-62(51-72(66)77)80(59-26-13-7-14-27-59)61-43-38-55(39-44-61)56-40-47-68-74(50-56)79(57-24-11-6-12-25-57,58-41-36-54(37-42-58)53-22-9-5-10-23-53)71-34-21-35-75(76(68)71)81(60-28-15-8-16-29-60)63-46-49-67-65-31-18-20-33-70(65)78(3,4)73(67)52-63;1-6-20-51(21-7-1)53-34-39-58(40-35-53)73(57-24-10-3-11-25-57)69-32-18-16-30-65(69)66-44-38-55(48-70(66)73)56-46-63(74(59-26-12-4-13-27-59)61-41-36-54(37-42-61)52-22-8-2-9-23-52)49-64(47-56)75(60-28-14-5-15-29-60)62-43-45-72-68(50-62)67-31-17-19-33-71(67)76-72/h2*5-52H,1-4H3;1-50H
InChIKeyGIRJDZKHESVRPL-UHFFFAOYSA-N
XLogP62.23
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds31
Heavy Atoms238
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003062.01
LogP ≤ 562.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
CID 163582433
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424565
N-(9-dibenzothiophen-2-yl-9-phenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593365
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-3-(9-phenylfluoren-9-yl)aniline;9,9-dimethyl-N-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine;N-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-1-amine
CID 162180065
9,9-dimethyl-N-[3-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 163676847
1-N,5-di(dibenzothiophen-2-yl)-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)benzene-1,3-diamine;1-N,3-N,5-tri(dibenzothiophen-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 161015507
2-N'-dibenzothiophen-2-yl-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915452
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177
3-N-dibenzothiophen-2-yl-3-N-(9,9-dimethylfluoren-3-yl)-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096827
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 126548483
8-N-(9,9-dimethylfluoren-2-yl)-2-N-phenyl-2-N-(3-phenylphenyl)-8-N-[3-(N-(3-phenylphenyl)anilino)phenyl]dibenzothiophene-2,8-diamine
CID 131979856
N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 162042014

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine?
The IUPAC name of 3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine (CID 163582431) is 3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for 3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine?
The canonical SMILES for 3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccc(-c6ccccc6)cc4)c4cccc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)c4-5)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccc(-c6ccccc6)cc4)c4cccc(N(c6ccccc6)c6ccc7c(c6)C(C)(C)c6ccccc6-7)c4-5)c3)cc21.c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccc(-c6ccccc6)cc4)c4ccccc4-5)cc(N(c4ccccc4)c4ccc5sc6ccccc6c5c4)c3)cc2)cc1.
What is the InChIKey of 3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine?
The InChIKey is GIRJDZKHESVRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C79H60N2.C73H50N2S/c1-77(2)69-35-19-17-33-64(69)66-47-44-62(51-72(66)77)80(59-28-13-7-14-29-59)61-32-21-25-55(49-61)56-41-46-68-74(50-56)79(57-26-11-6-12-27-57,58-42-39-54(40-43-58)53-23-9-5-10-24-53)71-37-22-38-75(76(68)71)81(60-30-15-8-16-31-60)63-45-48-67-65-34-18-20-36-70(65)78(3,4)73(67)52-63;1-77(2)69-32-19-17-30-64(69)66-48-45-62(51-72(66)77)80(59-26-13-7-14-27-59)61-43-38-55(39-44-61)56-40-47-68-74(50-56)79(57-24-11-6-12-25-57,58-41-36-54(37-42-58)53-22-9-5-10-23-53)71-34-21-35-75(76(68)71)81(60-28-15-8-16-29-60)63-46-49-67-65-31-18-20-33-70(65)78(3,4)73(67)52-63;1-6-20-51(21-7-1)53-34-39-58(40-35-53)73(57-24-10-3-11-25-57)69-32-18-16-30-65(69)66-44-38-55(48-70(66)73)56-46-63(74(59-26-12-4-13-27-59)61-41-36-54(37-42-61)52-22-8-2-9-23-52)49-64(47-56)75(60-28-14-5-15-29-60)62-43-45-72-68(50-62)67-31-17-19-33-71(67)76-72/h2*5-52H,1-4H3;1-50H.
What are the key properties of 3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine?
3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 3062.01 g/mol, XLogP of 62.23, 31 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-5-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]benzene-1,3-diamine;N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine;N-(9,9-dimethylfluoren-2-yl)-7-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 163582431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).