N-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine

C52H71N — CID 58151400

IUPACN-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N(C)c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(C)ccc3-4)cc21
InChIInChI=1S/C52H71N/c1-7-11-15-21-33-51(34-22-16-12-8-2)47-26-20-19-25-43(47)45-31-28-41(38-49(45)51)53(6)42-29-32-46-44-30-27-40(5)37-48(44)52(50(46)39-42,35-23-17-13-9-3)36-24-18-14-10-4/h19-20,25-32,37-39H,7-18,21-24,33-36H2,1-6H3
InChIKeyYSAYTFZTDQMAQU-UHFFFAOYSA-N
MW710.15 g/mol
LogP16.18
Rot. Bonds22

About N-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine

N-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine (PubChem CID 58151400) has the molecular formula C52H71N and a molecular weight of 710.15 g/mol. Its IUPAC name is N-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine
PubChem CID58151400
Molecular FormulaC52H71N
Molecular Weight710.15 g/mol
Exact Mass709.56
IUPAC NameN-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N(C)c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(C)ccc3-4)cc21
InChIInChI=1S/C52H71N/c1-7-11-15-21-33-51(34-22-16-12-8-2)47-26-20-19-25-43(47)45-31-28-41(38-49(45)51)53(6)42-29-32-46-44-30-27-40(5)37-48(44)52(50(46)39-42,35-23-17-13-9-3)36-24-18-14-10-4/h19-20,25-32,37-39H,7-18,21-24,33-36H2,1-6H3
InChIKeyYSAYTFZTDQMAQU-UHFFFAOYSA-N
XLogP16.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.15
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine
CID 58151350
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
9,9-dibutyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 86165804
9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine;9,9-dihexyl-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine;9,9-dihexyl-N-methyl-N-[4-(4-methylphenyl)phenyl]fluoren-2-amine;4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N-methyl-N-phenylaniline;N-methyl-N-[4-(4-methylphenyl)phenyl]-4-octylaniline
CID 161002521
9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine;9,9-dihexyl-N-methyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine;4-[9,9-dihexyl-7-(4-methylphenyl)fluoren-2-yl]-N-methyl-N-phenylaniline;N-methyl-N-[4-(4-methylphenyl)phenyl]-4-octylaniline
CID 161230667
2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 102383960
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-(9,9-dihexyl-7-methylfluoren-2-yl)phenyl]-N-methylaniline
CID 58250969
2-N,7-N-bis(1,1,2,2,3,3-hexamethylinden-5-yl)-9,9-dihexyl-2-N,7-N-dimethylfluorene-2,7-diamine
CID 142500153
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine?
The IUPAC name of N-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine (CID 58151400) is N-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine.
What is the SMILES notation for N-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine?
The canonical SMILES for N-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(N(C)c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(C)ccc3-4)cc21.
What is the InChIKey of N-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine?
The InChIKey is YSAYTFZTDQMAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H71N/c1-7-11-15-21-33-51(34-22-16-12-8-2)47-26-20-19-25-43(47)45-31-28-41(38-49(45)51)53(6)42-29-32-46-44-30-27-40(5)37-48(44)52(50(46)39-42,35-23-17-13-9-3)36-24-18-14-10-4/h19-20,25-32,37-39H,7-18,21-24,33-36H2,1-6H3.
What are the key properties of N-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine?
N-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine has a molecular weight of 710.15 g/mol, XLogP of 16.18, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dihexylfluoren-2-yl)-9,9-dihexyl-N,7-dimethylfluoren-2-amine is sourced from PubChem (CID 58151400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).