3-methyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N-[3-(trifluoromethyl)phenyl]aniline

C58H39F3N2 — CID 88567791

IUPAC3-methyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N-[3-(trifluoromethyl)phenyl]aniline
SMILESCc1cccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C58H39F3N2/c1-38-13-11-17-46(35-38)62(47-18-12-16-43(37-47)58(59,60)61)44-30-25-39(26-31-44)42-29-34-55-53(36-42)48-19-9-10-24-54(48)63(55)45-32-27-41(28-33-45)57-51-22-7-5-20-49(51)56(40-14-3-2-4-15-40)50-21-6-8-23-52(50)57/h2-37H,1H3
InChIKeyCQIMTHMZGKMUTM-UHFFFAOYSA-N
MW820.96 g/mol
LogP16.89
Rot. Bonds7

About 3-methyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N-[3-(trifluoromethyl)phenyl]aniline

3-methyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N-[3-(trifluoromethyl)phenyl]aniline (PubChem CID 88567791) has the molecular formula C58H39F3N2 and a molecular weight of 820.96 g/mol. Its IUPAC name is 3-methyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N-[3-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N-[3-(trifluoromethyl)phenyl]aniline
PubChem CID88567791
Molecular FormulaC58H39F3N2
Molecular Weight820.96 g/mol
Exact Mass820.31
IUPAC Name3-methyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N-[3-(trifluoromethyl)phenyl]aniline
SMILESCc1cccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C58H39F3N2/c1-38-13-11-17-46(35-38)62(47-18-12-16-43(37-47)58(59,60)61)44-30-25-39(26-31-44)42-29-34-55-53(36-42)48-19-9-10-24-54(48)63(55)45-32-27-41(28-33-45)57-51-22-7-5-20-49(51)56(40-14-3-2-4-15-40)50-21-6-8-23-52(50)57/h2-37H,1H3
InChIKeyCQIMTHMZGKMUTM-UHFFFAOYSA-N
XLogP16.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.96
LogP ≤ 516.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 59307122
ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 143301599
9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 157433581
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis[3-(trifluoromethyl)phenyl]anthracen-2-amine
CID 59211087
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 159948060
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772
N,N-bis(4-methylphenyl)-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]aniline;N,N-diphenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]aniline;4-[6-(6-methyl-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 159011512
N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59827974
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 159617132
N,N-diphenyl-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine;N,N-diphenyl-9-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 157146529
9-[4-[10-[3-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58163316
N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline
CID 100915201

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N-[3-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 3-methyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N-[3-(trifluoromethyl)phenyl]aniline (CID 88567791) is 3-methyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N-[3-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 3-methyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N-[3-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 3-methyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N-[3-(trifluoromethyl)phenyl]aniline is Cc1cccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-methyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N-[3-(trifluoromethyl)phenyl]aniline?
The InChIKey is CQIMTHMZGKMUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39F3N2/c1-38-13-11-17-46(35-38)62(47-18-12-16-43(37-47)58(59,60)61)44-30-25-39(26-31-44)42-29-34-55-53(36-42)48-19-9-10-24-54(48)63(55)45-32-27-41(28-33-45)57-51-22-7-5-20-49(51)56(40-14-3-2-4-15-40)50-21-6-8-23-52(50)57/h2-37H,1H3.
What are the key properties of 3-methyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N-[3-(trifluoromethyl)phenyl]aniline?
3-methyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N-[3-(trifluoromethyl)phenyl]aniline has a molecular weight of 820.96 g/mol, XLogP of 16.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-N-[3-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 88567791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).