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

C79H60N2 — CID 163582433

IUPACN-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(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
InChIInChI=1S/C79H60N2/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/h5-52H,1-4H3
InChIKeyZICJGMAESPMYID-UHFFFAOYSA-N
MW1037.36 g/mol
LogP20.94
Rot. Bonds10

About 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-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine (PubChem CID 163582433) has the molecular formula C79H60N2 and a molecular weight of 1037.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
PubChem CID163582433
Molecular FormulaC79H60N2
Molecular Weight1037.36 g/mol
Exact Mass1036.48
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(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
InChIInChI=1S/C79H60N2/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/h5-52H,1-4H3
InChIKeyZICJGMAESPMYID-UHFFFAOYSA-N
XLogP20.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.36
LogP ≤ 520.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 126548483
N,N-bis[3-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 154972916
2-N,2-N,5-N,5-N,9,9-hexakis-phenylfluorene-2,5-diamine;2-N,5-N,5-N,9,9-pentakis-phenyl-2-N-(4-phenylphenyl)fluorene-2,5-diamine;2-N,5-N,9,9-tetraphenyl-2-N,5-N-bis(4-phenylphenyl)fluorene-2,5-diamine
CID 159945654
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 135193258
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 158254374
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
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
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-4-amine
CID 118146121
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N,7,9-tris(4-phenylphenyl)fluoren-2-amine;7,9-diphenyl-N,9-bis(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N,5,7,9-tetraphenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 163478746
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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.
What is the InChIKey of 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?
The InChIKey is ZICJGMAESPMYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H60N2/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/h5-52H,1-4H3.
What are the key properties of 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-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 1037.36 g/mol, XLogP of 20.94, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163582433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).