7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine

C79H76N2 — CID 118424877

IUPAC7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
SMILESCCC1(CC)c2cc(-c3ccc4c(c3)C(CC)(CC)c3cc(N(c5ccc(C)cc5)c5ccc(C)cc5)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(N(c5ccc(C)cc5)c5ccc(C)cc5)ccc3-4)cc21
InChIInChI=1S/C79H76N2/c1-11-77(12-2)71-45-55(57-27-41-67-69-43-37-63(49-75(69)78(13-3,14-4)73(67)47-57)80(59-29-17-51(7)18-30-59)60-31-19-52(8)20-32-60)25-39-65(71)66-40-26-56(46-72(66)77)58-28-42-68-70-44-38-64(50-76(70)79(15-5,16-6)74(68)48-58)81(61-33-21-53(9)22-34-61)62-35-23-54(10)24-36-62/h17-50H,11-16H2,1-10H3
InChIKeyIGWHIQVXHHGVHN-UHFFFAOYSA-N
MW1053.49 g/mol
LogP22.45
Rot. Bonds14

About 7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine

7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine (PubChem CID 118424877) has the molecular formula C79H76N2 and a molecular weight of 1053.49 g/mol. Its IUPAC name is 7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
PubChem CID118424877
Molecular FormulaC79H76N2
Molecular Weight1053.49 g/mol
Exact Mass1052.60
IUPAC Name7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
SMILESCCC1(CC)c2cc(-c3ccc4c(c3)C(CC)(CC)c3cc(N(c5ccc(C)cc5)c5ccc(C)cc5)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(N(c5ccc(C)cc5)c5ccc(C)cc5)ccc3-4)cc21
InChIInChI=1S/C79H76N2/c1-11-77(12-2)71-45-55(57-27-41-67-69-43-37-63(49-75(69)78(13-3,14-4)73(67)47-57)80(59-29-17-51(7)18-30-59)60-31-19-52(8)20-32-60)25-39-65(71)66-40-26-56(46-72(66)77)58-28-42-68-70-44-38-64(50-76(70)79(15-5,16-6)74(68)48-58)81(61-33-21-53(9)22-34-61)62-35-23-54(10)24-36-62/h17-50H,11-16H2,1-10H3
InChIKeyIGWHIQVXHHGVHN-UHFFFAOYSA-N
XLogP22.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.49
LogP ≤ 522.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9,9-diethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;bis(9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine);2-N,2-N,7-N,7-N-tetrakis(4-ethylphenyl)-9,9-dimethylfluorene-2,7-diamine
CID 160966988
2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
CID 23561815
9,9-diethyl-7-[(E)-2-[4-(4-methyl-2-phenylphenyl)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89067087
N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine
CID 20685715
9,9-diethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-di(pyren-1-yl)fluorene-2,7-diamine
CID 58883884
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
CID 59800971
5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine
CID 59510924
2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 121276321
7-bromo-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 18694816
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
9,9-dibutyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 86165804
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300

Frequently Asked Questions

What is the IUPAC name of 7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine?
The IUPAC name of 7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine (CID 118424877) is 7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine.
What is the SMILES notation for 7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine?
The canonical SMILES for 7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine is CCC1(CC)c2cc(-c3ccc4c(c3)C(CC)(CC)c3cc(N(c5ccc(C)cc5)c5ccc(C)cc5)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(CC)(CC)c3cc(N(c5ccc(C)cc5)c5ccc(C)cc5)ccc3-4)cc21.
What is the InChIKey of 7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine?
The InChIKey is IGWHIQVXHHGVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H76N2/c1-11-77(12-2)71-45-55(57-27-41-67-69-43-37-63(49-75(69)78(13-3,14-4)73(67)47-57)80(59-29-17-51(7)18-30-59)60-31-19-52(8)20-32-60)25-39-65(71)66-40-26-56(46-72(66)77)58-28-42-68-70-44-38-64(50-76(70)79(15-5,16-6)74(68)48-58)81(61-33-21-53(9)22-34-61)62-35-23-54(10)24-36-62/h17-50H,11-16H2,1-10H3.
What are the key properties of 7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine?
7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine has a molecular weight of 1053.49 g/mol, XLogP of 22.45, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-[9,9-diethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-9,9-diethylfluoren-2-yl]-9,9-diethyl-N,N-bis(4-methylphenyl)fluoren-2-amine is sourced from PubChem (CID 118424877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).