N-formyl-2-methyl-6-[1-(trifluoromethyl)carbazol-9-yl]-N-(2,4,6-triphenylphenyl)benzamide

C46H31F3N2O2 — CID 166989510

IUPACN-formyl-2-methyl-6-[1-(trifluoromethyl)carbazol-9-yl]-N-(2,4,6-triphenylphenyl)benzamide
SMILESCc1cccc(-n2c3ccccc3c3cccc(C(F)(F)F)c32)c1C(=O)N(C=O)c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C46H31F3N2O2/c1-30-15-13-26-41(51-40-25-12-11-22-35(40)36-23-14-24-39(44(36)51)46(47,48)49)42(30)45(53)50(29-52)43-37(32-18-7-3-8-19-32)27-34(31-16-5-2-6-17-31)28-38(43)33-20-9-4-10-21-33/h2-29H,1H3
InChIKeyFCXXHRZIXIWXOU-UHFFFAOYSA-N
MW700.76 g/mol
LogP11.92
Rot. Bonds7

About N-formyl-2-methyl-6-[1-(trifluoromethyl)carbazol-9-yl]-N-(2,4,6-triphenylphenyl)benzamide

N-formyl-2-methyl-6-[1-(trifluoromethyl)carbazol-9-yl]-N-(2,4,6-triphenylphenyl)benzamide (PubChem CID 166989510) has the molecular formula C46H31F3N2O2 and a molecular weight of 700.76 g/mol. Its IUPAC name is N-formyl-2-methyl-6-[1-(trifluoromethyl)carbazol-9-yl]-N-(2,4,6-triphenylphenyl)benzamide.

Molecular Properties

Compound NameN-formyl-2-methyl-6-[1-(trifluoromethyl)carbazol-9-yl]-N-(2,4,6-triphenylphenyl)benzamide
PubChem CID166989510
Molecular FormulaC46H31F3N2O2
Molecular Weight700.76 g/mol
Exact Mass700.23
IUPAC NameN-formyl-2-methyl-6-[1-(trifluoromethyl)carbazol-9-yl]-N-(2,4,6-triphenylphenyl)benzamide
SMILESCc1cccc(-n2c3ccccc3c3cccc(C(F)(F)F)c32)c1C(=O)N(C=O)c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C46H31F3N2O2/c1-30-15-13-26-41(51-40-25-12-11-22-35(40)36-23-14-24-39(44(36)51)46(47,48)49)42(30)45(53)50(29-52)43-37(32-18-7-3-8-19-32)27-34(31-16-5-2-6-17-31)28-38(43)33-20-9-4-10-21-33/h2-29H,1H3
InChIKeyFCXXHRZIXIWXOU-UHFFFAOYSA-N
XLogP11.92
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.76
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,6-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide
CID 134235077
2-[1,8-bis(6-cyano-2-pyridinyl)carbazol-9-yl]-N-formyl-6-methyl-N-(2,4,6-triphenylphenyl)benzamide
CID 134234895
2-(1-cyanocarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide
CID 166989505
2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-formyl-N-methyl-N-(2,4,6-triphenylphenyl)benzamide
CID 166989590
2-(2,7-dipyridin-4-ylcarbazol-9-yl)-N-formyl-6-methyl-N-(3-phenylphenyl)benzamide
CID 166989455
2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-N-(3,5-diphenylphenyl)-N-formyl-6-methylbenzamide
CID 142280856
2-(2-phenylphenyl)-4-[1-(trifluoromethyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233924
2-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-6-formyl-N-methyl-N-(4-phenylphenyl)benzamide
CID 142280555
1-methyl-9-[2-(1-methylcarbazol-9-yl)-4-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 158794342
2-[1,8-bis(4-methylphenyl)carbazol-9-yl]-N-(2,4-diphenylphenyl)-6-formyl-N-methylbenzamide
CID 166989464
2-carbazol-9-yl-6-formyl-N-methyl-N-(2-phenylphenyl)benzamide
CID 134241115
4-[1-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,4,6-triphenylphenyl)isoindole-1,3-dione
CID 134234625

Frequently Asked Questions

What is the IUPAC name of N-formyl-2-methyl-6-[1-(trifluoromethyl)carbazol-9-yl]-N-(2,4,6-triphenylphenyl)benzamide?
The IUPAC name of N-formyl-2-methyl-6-[1-(trifluoromethyl)carbazol-9-yl]-N-(2,4,6-triphenylphenyl)benzamide (CID 166989510) is N-formyl-2-methyl-6-[1-(trifluoromethyl)carbazol-9-yl]-N-(2,4,6-triphenylphenyl)benzamide.
What is the SMILES notation for N-formyl-2-methyl-6-[1-(trifluoromethyl)carbazol-9-yl]-N-(2,4,6-triphenylphenyl)benzamide?
The canonical SMILES for N-formyl-2-methyl-6-[1-(trifluoromethyl)carbazol-9-yl]-N-(2,4,6-triphenylphenyl)benzamide is Cc1cccc(-n2c3ccccc3c3cccc(C(F)(F)F)c32)c1C(=O)N(C=O)c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of N-formyl-2-methyl-6-[1-(trifluoromethyl)carbazol-9-yl]-N-(2,4,6-triphenylphenyl)benzamide?
The InChIKey is FCXXHRZIXIWXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31F3N2O2/c1-30-15-13-26-41(51-40-25-12-11-22-35(40)36-23-14-24-39(44(36)51)46(47,48)49)42(30)45(53)50(29-52)43-37(32-18-7-3-8-19-32)27-34(31-16-5-2-6-17-31)28-38(43)33-20-9-4-10-21-33/h2-29H,1H3.
What are the key properties of N-formyl-2-methyl-6-[1-(trifluoromethyl)carbazol-9-yl]-N-(2,4,6-triphenylphenyl)benzamide?
N-formyl-2-methyl-6-[1-(trifluoromethyl)carbazol-9-yl]-N-(2,4,6-triphenylphenyl)benzamide has a molecular weight of 700.76 g/mol, XLogP of 11.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-2-methyl-6-[1-(trifluoromethyl)carbazol-9-yl]-N-(2,4,6-triphenylphenyl)benzamide is sourced from PubChem (CID 166989510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).