2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine

C55H64N2 — CID 102383960

IUPAC2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccccc3)c3cccc(C)c3)ccc2-c2ccc(N(c3ccccc3)c3cccc(C)c3)cc21
InChIInChI=1S/C55H64N2/c1-5-7-9-11-13-21-37-55(38-22-14-12-10-8-6-2)53-41-49(56(45-27-17-15-18-28-45)47-31-23-25-43(3)39-47)33-35-51(53)52-36-34-50(42-54(52)55)57(46-29-19-16-20-30-46)48-32-24-26-44(4)40-48/h15-20,23-36,39-42H,5-14,21-22,37-38H2,1-4H3
InChIKeyARFCUUQYVIQTBJ-UHFFFAOYSA-N
MW753.13 g/mol
LogP17.01
Rot. Bonds20

About 2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine

2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine (PubChem CID 102383960) has the molecular formula C55H64N2 and a molecular weight of 753.13 g/mol. Its IUPAC name is 2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
PubChem CID102383960
Molecular FormulaC55H64N2
Molecular Weight753.13 g/mol
Exact Mass752.51
IUPAC Name2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccccc3)c3cccc(C)c3)ccc2-c2ccc(N(c3ccccc3)c3cccc(C)c3)cc21
InChIInChI=1S/C55H64N2/c1-5-7-9-11-13-21-37-55(38-22-14-12-10-8-6-2)53-41-49(56(45-27-17-15-18-28-45)47-31-23-25-43(3)39-47)33-35-51(53)52-36-34-50(42-54(52)55)57(46-29-19-16-20-30-46)48-32-24-26-44(4)40-48/h15-20,23-36,39-42H,5-14,21-22,37-38H2,1-4H3
InChIKeyARFCUUQYVIQTBJ-UHFFFAOYSA-N
XLogP17.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.13
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine with MolForge

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Launch Full Analysis

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
2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 59533074
[4-[4-(N-(9,9-dioctylfluoren-2-yl)-3-methylanilino)phenyl]phenyl]methanol
CID 139983913
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine
CID 71228215
9,9-dihexyl-N,7-dimethyl-N-phenylfluoren-2-amine
CID 58151350
[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]boronic acid
CID 91666305
[9,9-dioctyl-7-(N-phenylanilino)fluoren-2-yl]boronic acid
CID 86228244
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-6,6,12,12-tetrahexyl-8-methyl-N-phenylindeno[1,2-b]fluoren-2-amine
CID 71009487
9,9-didecyl-7-(N-phenylanilino)fluorene-2-carbaldehyde
CID 22723475
9,9-dihexyl-N,N-bis[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 59470044

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine?
The IUPAC name of 2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine (CID 102383960) is 2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine?
The canonical SMILES for 2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine is CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccccc3)c3cccc(C)c3)ccc2-c2ccc(N(c3ccccc3)c3cccc(C)c3)cc21.
What is the InChIKey of 2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine?
The InChIKey is ARFCUUQYVIQTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H64N2/c1-5-7-9-11-13-21-37-55(38-22-14-12-10-8-6-2)53-41-49(56(45-27-17-15-18-28-45)47-31-23-25-43(3)39-47)33-35-51(53)52-36-34-50(42-54(52)55)57(46-29-19-16-20-30-46)48-32-24-26-44(4)40-48/h15-20,23-36,39-42H,5-14,21-22,37-38H2,1-4H3.
What are the key properties of 2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine?
2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine has a molecular weight of 753.13 g/mol, XLogP of 17.01, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine is sourced from PubChem (CID 102383960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).