2-(4-chlorophenyl)-4,5,7-trifluoro-N,N,3-triphenyl-1-benzofuran-6-amine

C32H19ClF3NO — CID 102314758

IUPAC2-(4-chlorophenyl)-4,5,7-trifluoro-N,N,3-triphenyl-1-benzofuran-6-amine
SMILESFc1c(N(c2ccccc2)c2ccccc2)c(F)c2oc(-c3ccc(Cl)cc3)c(-c3ccccc3)c2c1F
InChIInChI=1S/C32H19ClF3NO/c33-22-18-16-21(17-19-22)31-25(20-10-4-1-5-11-20)26-27(34)28(35)30(29(36)32(26)38-31)37(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19H
InChIKeyIKDYADVYEDWKRZ-UHFFFAOYSA-N
MW525.96 g/mol
LogP10.31
Rot. Bonds5

About 2-(4-chlorophenyl)-4,5,7-trifluoro-N,N,3-triphenyl-1-benzofuran-6-amine

2-(4-chlorophenyl)-4,5,7-trifluoro-N,N,3-triphenyl-1-benzofuran-6-amine (PubChem CID 102314758) has the molecular formula C32H19ClF3NO and a molecular weight of 525.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4,5,7-trifluoro-N,N,3-triphenyl-1-benzofuran-6-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4,5,7-trifluoro-N,N,3-triphenyl-1-benzofuran-6-amine
PubChem CID102314758
Molecular FormulaC32H19ClF3NO
Molecular Weight525.96 g/mol
Exact Mass525.11
IUPAC Name2-(4-chlorophenyl)-4,5,7-trifluoro-N,N,3-triphenyl-1-benzofuran-6-amine
SMILESFc1c(N(c2ccccc2)c2ccccc2)c(F)c2oc(-c3ccc(Cl)cc3)c(-c3ccccc3)c2c1F
InChIInChI=1S/C32H19ClF3NO/c33-22-18-16-21(17-19-22)31-25(20-10-4-1-5-11-20)26-27(34)28(35)30(29(36)32(26)38-31)37(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19H
InChIKeyIKDYADVYEDWKRZ-UHFFFAOYSA-N
XLogP10.31
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.96
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1-benzofuran-2-yl)phenyl]-2-(4-chlorophenyl)acetamide
CID 153523832
2-chloro-N-dibenzofuran-3-yl-4,5-difluorobenzamide
CID 2883350
Urea, N-(2-chloro-4,5-difluorophenyl)-N'-3-dibenzofuranyl-
CID 2254338
4-(1-benzofuran-2-yl)-N,N-diphenylaniline
CID 91572290
7-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)dibenzofuran-3,7-diamine
CID 23593088
N-(3-fluoro-4-methylphenyl)-N,7-dimethyldibenzofuran-3-amine
CID 23593121
N-(4-fluorophenyl)-N,7-dimethyldibenzofuran-3-amine
CID 23593175
3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-7-N-phenyldibenzofuran-3,7-diamine
CID 23593199
3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyldibenzofuran-3,7-diamine
CID 23593201
3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyldibenzofuran-3,7-diamine
CID 23593205
3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-(4-methylphenyl)dibenzofuran-3,7-diamine
CID 23593206
3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-[(4-methylphenyl)-phenylmethyl]phenyl]-7-N-phenyldibenzofuran-3,7-diamine
CID 23593213

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4,5,7-trifluoro-N,N,3-triphenyl-1-benzofuran-6-amine?
The IUPAC name of 2-(4-chlorophenyl)-4,5,7-trifluoro-N,N,3-triphenyl-1-benzofuran-6-amine (CID 102314758) is 2-(4-chlorophenyl)-4,5,7-trifluoro-N,N,3-triphenyl-1-benzofuran-6-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-4,5,7-trifluoro-N,N,3-triphenyl-1-benzofuran-6-amine?
The canonical SMILES for 2-(4-chlorophenyl)-4,5,7-trifluoro-N,N,3-triphenyl-1-benzofuran-6-amine is Fc1c(N(c2ccccc2)c2ccccc2)c(F)c2oc(-c3ccc(Cl)cc3)c(-c3ccccc3)c2c1F.
What is the InChIKey of 2-(4-chlorophenyl)-4,5,7-trifluoro-N,N,3-triphenyl-1-benzofuran-6-amine?
The InChIKey is IKDYADVYEDWKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19ClF3NO/c33-22-18-16-21(17-19-22)31-25(20-10-4-1-5-11-20)26-27(34)28(35)30(29(36)32(26)38-31)37(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19H.
What are the key properties of 2-(4-chlorophenyl)-4,5,7-trifluoro-N,N,3-triphenyl-1-benzofuran-6-amine?
2-(4-chlorophenyl)-4,5,7-trifluoro-N,N,3-triphenyl-1-benzofuran-6-amine has a molecular weight of 525.96 g/mol, XLogP of 10.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4,5,7-trifluoro-N,N,3-triphenyl-1-benzofuran-6-amine is sourced from PubChem (CID 102314758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).