1-(difluoromethoxy)-N-ethyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine

C28H23F2NO2 — CID 70026566

IUPAC1-(difluoromethoxy)-N-ethyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine
SMILESCCN(c1ccccc1)c1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C28H23F2NO2/c1-2-31(20-12-7-4-8-13-20)21-16-17-22-23(18-21)27(19-10-5-3-6-11-19)32-24-14-9-15-25(26(22)24)33-28(29)30/h3-18,27-28H,2H2,1H3
InChIKeyBMRGHRUVHOGKRO-UHFFFAOYSA-N
MW443.49 g/mol
LogP7.59
Rot. Bonds6

About 1-(difluoromethoxy)-N-ethyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine

1-(difluoromethoxy)-N-ethyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine (PubChem CID 70026566) has the molecular formula C28H23F2NO2 and a molecular weight of 443.49 g/mol. Its IUPAC name is 1-(difluoromethoxy)-N-ethyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine.

Molecular Properties

Compound Name1-(difluoromethoxy)-N-ethyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine
PubChem CID70026566
Molecular FormulaC28H23F2NO2
Molecular Weight443.49 g/mol
Exact Mass443.17
IUPAC Name1-(difluoromethoxy)-N-ethyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine
SMILESCCN(c1ccccc1)c1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC(F)F)c1-2
InChIInChI=1S/C28H23F2NO2/c1-2-31(20-12-7-4-8-13-20)21-16-17-22-23(18-21)27(19-10-5-3-6-11-19)32-24-14-9-15-25(26(22)24)33-28(29)30/h3-18,27-28H,2H2,1H3
InChIKeyBMRGHRUVHOGKRO-UHFFFAOYSA-N
XLogP7.59
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.49
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-phenyl-6H-benzo[c]chromen-8-amine
CID 70025909
2-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]acetamide
CID 18503955
3-[1-(difluoromethoxy)-6-phenyl-6H-benzo[c]chromen-8-yl]-1,1-bis(methylsulfonyl)urea
CID 70027760
1-(difluoromethoxy)-6-(3-fluorophenyl)-N-phenyl-6H-benzo[c]chromen-8-amine
CID 70025995
N-[1-(difluoromethoxy)-6-[4-[methyl(prop-2-enyl)amino]phenyl]-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 10140990
1-methoxy-6-phenyl-6H-benzo[c]chromen-8-amine
CID 18189209
3-[4-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]propanoic acid
CID 18188913
[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]methanesulfonamide
CID 18188680
2-[6-(3-chlorophenyl)-1-(difluoromethoxy)-6H-benzo[c]chromen-8-yl]-2-methylpropanamide
CID 70026589
2-[1-(difluoromethoxy)-6-(3-fluorophenyl)-6H-benzo[c]chromen-8-yl]ethanesulfonamide
CID 70028336
2-[1-(difluoromethoxy)-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]propanamide
CID 18188977
3-[3-[1-(difluoromethoxy)-8-(sulfamoylmethyl)-6H-benzo[c]chromen-6-yl]phenyl]-2,2-dimethylpropanoic acid
CID 18188986

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-N-ethyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine?
The IUPAC name of 1-(difluoromethoxy)-N-ethyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine (CID 70026566) is 1-(difluoromethoxy)-N-ethyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine.
What is the SMILES notation for 1-(difluoromethoxy)-N-ethyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine?
The canonical SMILES for 1-(difluoromethoxy)-N-ethyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine is CCN(c1ccccc1)c1ccc2c(c1)C(c1ccccc1)Oc1cccc(OC(F)F)c1-2.
What is the InChIKey of 1-(difluoromethoxy)-N-ethyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine?
The InChIKey is BMRGHRUVHOGKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2NO2/c1-2-31(20-12-7-4-8-13-20)21-16-17-22-23(18-21)27(19-10-5-3-6-11-19)32-24-14-9-15-25(26(22)24)33-28(29)30/h3-18,27-28H,2H2,1H3.
What are the key properties of 1-(difluoromethoxy)-N-ethyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine?
1-(difluoromethoxy)-N-ethyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine has a molecular weight of 443.49 g/mol, XLogP of 7.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-N-ethyl-N,6-diphenyl-6H-benzo[c]chromen-8-amine is sourced from PubChem (CID 70026566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).