1-(difluoromethoxy)-6-(3-fluorophenyl)-N-phenyl-6H-benzo[c]chromen-8-amine

C26H18F3NO2 — CID 70025995

IUPAC1-(difluoromethoxy)-6-(3-fluorophenyl)-N-phenyl-6H-benzo[c]chromen-8-amine
SMILESFc1cccc(C2Oc3cccc(OC(F)F)c3-c3ccc(Nc4ccccc4)cc32)c1
InChIInChI=1S/C26H18F3NO2/c27-17-7-4-6-16(14-17)25-21-15-19(30-18-8-2-1-3-9-18)12-13-20(21)24-22(31-25)10-5-11-23(24)32-26(28)29/h1-15,25-26,30H
InChIKeyJGWANKAIKIZSEX-UHFFFAOYSA-N
MW433.43 g/mol
LogP7.32
Rot. Bonds5

About 1-(difluoromethoxy)-6-(3-fluorophenyl)-N-phenyl-6H-benzo[c]chromen-8-amine

1-(difluoromethoxy)-6-(3-fluorophenyl)-N-phenyl-6H-benzo[c]chromen-8-amine (PubChem CID 70025995) has the molecular formula C26H18F3NO2 and a molecular weight of 433.43 g/mol. Its IUPAC name is 1-(difluoromethoxy)-6-(3-fluorophenyl)-N-phenyl-6H-benzo[c]chromen-8-amine.

Molecular Properties

Compound Name1-(difluoromethoxy)-6-(3-fluorophenyl)-N-phenyl-6H-benzo[c]chromen-8-amine
PubChem CID70025995
Molecular FormulaC26H18F3NO2
Molecular Weight433.43 g/mol
Exact Mass433.13
IUPAC Name1-(difluoromethoxy)-6-(3-fluorophenyl)-N-phenyl-6H-benzo[c]chromen-8-amine
SMILESFc1cccc(C2Oc3cccc(OC(F)F)c3-c3ccc(Nc4ccccc4)cc32)c1
InChIInChI=1S/C26H18F3NO2/c27-17-7-4-6-16(14-17)25-21-15-19(30-18-8-2-1-3-9-18)12-13-20(21)24-22(31-25)10-5-11-23(24)32-26(28)29/h1-15,25-26,30H
InChIKeyJGWANKAIKIZSEX-UHFFFAOYSA-N
XLogP7.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.43
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188680
3-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]-1,1-bis(methylsulfonyl)urea
CID 70027760
2-[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]ethanesulfonamide
CID 70028336
N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-fluorobenzenesulfonamide
CID 18189114
N-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]cyclopropanecarboxamide
CID 18504065
2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]acetamide
CID 18503955
1-(difluoromethoxy)-N-ethyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine
CID 70026566
3-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]-1,1-bis(methylsulfonyl)urea
CID 70025991
[1-(difluoromethoxy)-3-fluoro-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188681
3-[1-(difluoromethoxy)-6-(3,4-dimethoxyphenyl)-6H-benzo[c]chromen-8-yl]-1,1-bis(methylsulfonyl)urea
CID 18189426
N-benzyl-1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-phenyl-6H-benzo[c]chromen-8-amine
CID 70025909
2-[6-(3-fluorophenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]acetamide
CID 18189280

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-6-(3-fluorophenyl)-N-phenyl-6H-benzo[c]chromen-8-amine?
The IUPAC name of 1-(difluoromethoxy)-6-(3-fluorophenyl)-N-phenyl-6H-benzo[c]chromen-8-amine (CID 70025995) is 1-(difluoromethoxy)-6-(3-fluorophenyl)-N-phenyl-6H-benzo[c]chromen-8-amine.
What is the SMILES notation for 1-(difluoromethoxy)-6-(3-fluorophenyl)-N-phenyl-6H-benzo[c]chromen-8-amine?
The canonical SMILES for 1-(difluoromethoxy)-6-(3-fluorophenyl)-N-phenyl-6H-benzo[c]chromen-8-amine is Fc1cccc(C2Oc3cccc(OC(F)F)c3-c3ccc(Nc4ccccc4)cc32)c1.
What is the InChIKey of 1-(difluoromethoxy)-6-(3-fluorophenyl)-N-phenyl-6H-benzo[c]chromen-8-amine?
The InChIKey is JGWANKAIKIZSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3NO2/c27-17-7-4-6-16(14-17)25-21-15-19(30-18-8-2-1-3-9-18)12-13-20(21)24-22(31-25)10-5-11-23(24)32-26(28)29/h1-15,25-26,30H.
What are the key properties of 1-(difluoromethoxy)-6-(3-fluorophenyl)-N-phenyl-6H-benzo[c]chromen-8-amine?
1-(difluoromethoxy)-6-(3-fluorophenyl)-N-phenyl-6H-benzo[c]chromen-8-amine has a molecular weight of 433.43 g/mol, XLogP of 7.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-6-(3-fluorophenyl)-N-phenyl-6H-benzo[c]chromen-8-amine is sourced from PubChem (CID 70025995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).