9-N,9-N,10-N,10-N-tetrakis[4-(trifluoromethyl)phenyl]anthracene-9,10-diamine

C42H24F12N2 — CID 154791883

IUPAC9-N,9-N,10-N,10-N-tetrakis[4-(trifluoromethyl)phenyl]anthracene-9,10-diamine
SMILESFC(F)(F)c1ccc(N(c2ccc(C(F)(F)F)cc2)c2c3ccccc3c(N(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)c3ccccc23)cc1
InChIInChI=1S/C42H24F12N2/c43-39(44,45)25-9-17-29(18-10-25)55(30-19-11-26(12-20-30)40(46,47)48)37-33-5-1-2-6-34(33)38(36-8-4-3-7-35(36)37)56(31-21-13-27(14-22-31)41(49,50)51)32-23-15-28(16-24-32)42(52,53)54/h1-24H
InChIKeyAWIGNDQOPFOKHJ-UHFFFAOYSA-N
MW784.64 g/mol
LogP15.01
Rot. Bonds6

About 9-N,9-N,10-N,10-N-tetrakis[4-(trifluoromethyl)phenyl]anthracene-9,10-diamine

9-N,9-N,10-N,10-N-tetrakis[4-(trifluoromethyl)phenyl]anthracene-9,10-diamine (PubChem CID 154791883) has the molecular formula C42H24F12N2 and a molecular weight of 784.64 g/mol. Its IUPAC name is 9-N,9-N,10-N,10-N-tetrakis[4-(trifluoromethyl)phenyl]anthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,9-N,10-N,10-N-tetrakis[4-(trifluoromethyl)phenyl]anthracene-9,10-diamine
PubChem CID154791883
Molecular FormulaC42H24F12N2
Molecular Weight784.64 g/mol
Exact Mass784.17
IUPAC Name9-N,9-N,10-N,10-N-tetrakis[4-(trifluoromethyl)phenyl]anthracene-9,10-diamine
SMILESFC(F)(F)c1ccc(N(c2ccc(C(F)(F)F)cc2)c2c3ccccc3c(N(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)c3ccccc23)cc1
InChIInChI=1S/C42H24F12N2/c43-39(44,45)25-9-17-29(18-10-25)55(30-19-11-26(12-20-30)40(46,47)48)37-33-5-1-2-6-34(33)38(36-8-4-3-7-35(36)37)56(31-21-13-27(14-22-31)41(49,50)51)32-23-15-28(16-24-32)42(52,53)54/h1-24H
InChIKeyAWIGNDQOPFOKHJ-UHFFFAOYSA-N
XLogP15.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.64
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-N-(4-tert-butylphenyl)-9-N,9-N,10-N-tris(4-methylphenyl)anthracene-9,10-diamine
CID 126627134
9-N,10-N-bis(4-bromophenyl)-9-N,10-N-bis(4-tert-butylphenyl)anthracene-9,10-diamine
CID 59180638
4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline
CID 162147514
9-N,10-N-bis[4-(2-methylbutan-2-yl)phenyl]-9-N,10-N-diphenylanthracene-9,10-diamine
CID 134483225
10-bis[10-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)anthracen-9-yl]boranyl-N,N-bis(4-tert-butylphenyl)anthracen-9-amine
CID 102104586
9-N,9-N,10-N,10-N-tetrakis(4-chlorophenyl)anthracene-9,10-diamine
CID 20665542
9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-dinaphthalen-2-ylanthracene-9,10-diamine
CID 59133433
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 59133440
9-N,10-N-bis(4-tert-butylphenyl)-2-methyl-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine
CID 58371111
N,N-bis[4-(trifluoromethyl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline
CID 163737553
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-[4-(trifluoromethyl)phenyl]phenyl]aniline
CID 138467780
4-[difluoro-[4-(N-phenylanilino)phenyl]methyl]-N,N-diphenylaniline
CID 126517232

Frequently Asked Questions

What is the IUPAC name of 9-N,9-N,10-N,10-N-tetrakis[4-(trifluoromethyl)phenyl]anthracene-9,10-diamine?
The IUPAC name of 9-N,9-N,10-N,10-N-tetrakis[4-(trifluoromethyl)phenyl]anthracene-9,10-diamine (CID 154791883) is 9-N,9-N,10-N,10-N-tetrakis[4-(trifluoromethyl)phenyl]anthracene-9,10-diamine.
What is the SMILES notation for 9-N,9-N,10-N,10-N-tetrakis[4-(trifluoromethyl)phenyl]anthracene-9,10-diamine?
The canonical SMILES for 9-N,9-N,10-N,10-N-tetrakis[4-(trifluoromethyl)phenyl]anthracene-9,10-diamine is FC(F)(F)c1ccc(N(c2ccc(C(F)(F)F)cc2)c2c3ccccc3c(N(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)c3ccccc23)cc1.
What is the InChIKey of 9-N,9-N,10-N,10-N-tetrakis[4-(trifluoromethyl)phenyl]anthracene-9,10-diamine?
The InChIKey is AWIGNDQOPFOKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24F12N2/c43-39(44,45)25-9-17-29(18-10-25)55(30-19-11-26(12-20-30)40(46,47)48)37-33-5-1-2-6-34(33)38(36-8-4-3-7-35(36)37)56(31-21-13-27(14-22-31)41(49,50)51)32-23-15-28(16-24-32)42(52,53)54/h1-24H.
What are the key properties of 9-N,9-N,10-N,10-N-tetrakis[4-(trifluoromethyl)phenyl]anthracene-9,10-diamine?
9-N,9-N,10-N,10-N-tetrakis[4-(trifluoromethyl)phenyl]anthracene-9,10-diamine has a molecular weight of 784.64 g/mol, XLogP of 15.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,9-N,10-N,10-N-tetrakis[4-(trifluoromethyl)phenyl]anthracene-9,10-diamine is sourced from PubChem (CID 154791883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).