4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline

C61H60N2 — CID 134594820

IUPAC4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline
SMILESCCCCCCCCCCCC1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C61H60N2/c1-3-4-5-6-7-8-9-10-23-44-61(2)59-45-49(47-32-38-55(39-33-47)62(51-24-15-11-16-25-51)52-26-17-12-18-27-52)36-42-57(59)58-43-37-50(46-60(58)61)48-34-40-56(41-35-48)63(53-28-19-13-20-29-53)54-30-21-14-22-31-54/h11-22,24-43,45-46H,3-10,23,44H2,1-2H3
InChIKeyAMJQFTURIAMGJO-UHFFFAOYSA-N
MW821.17 g/mol
LogP18.17
Rot. Bonds18

About 4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline

4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline (PubChem CID 134594820) has the molecular formula C61H60N2 and a molecular weight of 821.17 g/mol. Its IUPAC name is 4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline
PubChem CID134594820
Molecular FormulaC61H60N2
Molecular Weight821.17 g/mol
Exact Mass820.48
IUPAC Name4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline
SMILESCCCCCCCCCCCC1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21
InChIInChI=1S/C61H60N2/c1-3-4-5-6-7-8-9-10-23-44-61(2)59-45-49(47-32-38-55(39-33-47)62(51-24-15-11-16-25-51)52-26-17-12-18-27-52)36-42-57(59)58-43-37-50(46-60(58)61)48-34-40-56(41-35-48)63(53-28-19-13-20-29-53)54-30-21-14-22-31-54/h11-22,24-43,45-46H,3-10,23,44H2,1-2H3
InChIKeyAMJQFTURIAMGJO-UHFFFAOYSA-N
XLogP18.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.17
LogP ≤ 518.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline 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

N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
9,9-dioctyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]fluorene-2,7-diamine
CID 59566452
4-[4-[7-[4-(4-hydroxyphenyl)phenyl]-9-methyl-9-octylfluoren-2-yl]phenyl]phenol
CID 123523124
2-(4-bromophenyl)-9-methyl-9-octylfluorene
CID 134581594
3-methyl-N-[4-[4-(4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 23530066
7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9-hexyl-9-methyl-N,N-diphenylfluoren-2-amine
CID 144690392
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
7-butan-2-yl-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]-9,9-dioctyl-N-phenylfluoren-2-amine
CID 126629992
5-[7-[3,5-bis(N-(4-phenylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 59510953
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
2-N-[7-[5-[7-[bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]amino]-9,9-dihexylfluoren-2-yl]-1,3,4-oxadiazol-2-yl]-9,9-dihexylfluoren-2-yl]-2-N-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-dihexyl-7-N,7-N-diphenylfluorene-2,7-diamine
CID 57384197
1-[2-(4-methylphenyl)-7-[4-(N-(4-methylphenyl)anilino)phenyl]-9-octanoylfluoren-9-yl]octan-1-one
CID 158452101

Frequently Asked Questions

What is the IUPAC name of 4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline (CID 134594820) is 4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline is CCCCCCCCCCCC1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21.
What is the InChIKey of 4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline?
The InChIKey is AMJQFTURIAMGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H60N2/c1-3-4-5-6-7-8-9-10-23-44-61(2)59-45-49(47-32-38-55(39-33-47)62(51-24-15-11-16-25-51)52-26-17-12-18-27-52)36-42-57(59)58-43-37-50(46-60(58)61)48-34-40-56(41-35-48)63(53-28-19-13-20-29-53)54-30-21-14-22-31-54/h11-22,24-43,45-46H,3-10,23,44H2,1-2H3.
What are the key properties of 4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline?
4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline has a molecular weight of 821.17 g/mol, XLogP of 18.17, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 134594820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).