N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline

C63H64N2 — CID 58251082

IUPACN-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
SMILESCCCCCCC1(CCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)cc21
InChIInChI=1S/C63H64N2/c1-5-7-9-17-43-63(44-18-10-8-6-2)61-45-51(49-27-37-57(38-28-49)64(53-19-13-11-14-20-53)55-33-23-47(3)24-34-55)31-41-59(61)60-42-32-52(46-62(60)63)50-29-39-58(40-30-50)65(54-21-15-12-16-22-54)56-35-25-48(4)26-36-56/h11-16,19-42,45-46H,5-10,17-18,43-44H2,1-4H3
InChIKeyTZFTURWAZPNZER-UHFFFAOYSA-N
MW849.22 g/mol
LogP18.78
Rot. Bonds18

About N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline

N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline (PubChem CID 58251082) has the molecular formula C63H64N2 and a molecular weight of 849.22 g/mol. Its IUPAC name is N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline.

Molecular Properties

Compound NameN-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
PubChem CID58251082
Molecular FormulaC63H64N2
Molecular Weight849.22 g/mol
Exact Mass848.51
IUPAC NameN-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
SMILESCCCCCCC1(CCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)cc21
InChIInChI=1S/C63H64N2/c1-5-7-9-17-43-63(44-18-10-8-6-2)61-45-51(49-27-37-57(38-28-49)64(53-19-13-11-14-20-53)55-33-23-47(3)24-34-55)31-41-59(61)60-42-32-52(46-62(60)63)50-29-39-58(40-30-50)65(54-21-15-12-16-22-54)56-35-25-48(4)26-36-56/h11-16,19-42,45-46H,5-10,17-18,43-44H2,1-4H3
InChIKeyTZFTURWAZPNZER-UHFFFAOYSA-N
XLogP18.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.22
LogP ≤ 518.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[4-[4-(4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 23530066
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-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N,N-dimethylaniline
CID 143848347
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
N-[4-[4-[4-[9-[4-(N-(4-tert-butylphenyl)anilino)phenyl]fluoren-9-yl]-N-[4-[9-[4-[N-(4-tert-butylphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]fluoren-9-yl]phenyl]anilino]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 59404152
2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 102383960
4-[9-methyl-7-[4-(N-phenylanilino)phenyl]-9-undecylfluoren-2-yl]-N,N-diphenylaniline
CID 134594820
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
7-butan-2-yl-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]-9,9-dioctyl-N-phenylfluoren-2-amine
CID 126629992
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
CID 158073816

Frequently Asked Questions

What is the IUPAC name of N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline?
The IUPAC name of N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline (CID 58251082) is N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline.
What is the SMILES notation for N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline?
The canonical SMILES for N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline is CCCCCCC1(CCCCCC)c2cc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C)cc4)cc3)cc21.
What is the InChIKey of N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline?
The InChIKey is TZFTURWAZPNZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H64N2/c1-5-7-9-17-43-63(44-18-10-8-6-2)61-45-51(49-27-37-57(38-28-49)64(53-19-13-11-14-20-53)55-33-23-47(3)24-34-55)31-41-59(61)60-42-32-52(46-62(60)63)50-29-39-58(40-30-50)65(54-21-15-12-16-22-54)56-35-25-48(4)26-36-56/h11-16,19-42,45-46H,5-10,17-18,43-44H2,1-4H3.
What are the key properties of N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline?
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline has a molecular weight of 849.22 g/mol, XLogP of 18.78, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline is sourced from PubChem (CID 58251082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).