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

C28H23F2NO3 — CID 70025892

IUPAC1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-methyl-N-phenyl-6H-benzo[c]chromen-8-amine
SMILESCOc1cccc(C2Oc3cccc(OC(F)F)c3-c3ccc(N(C)c4ccccc4)cc32)c1
InChIInChI=1S/C28H23F2NO3/c1-31(19-9-4-3-5-10-19)20-14-15-22-23(17-20)27(18-8-6-11-21(16-18)32-2)33-24-12-7-13-25(26(22)24)34-28(29)30/h3-17,27-28H,1-2H3
InChIKeyXLZLTXTVEONLJX-UHFFFAOYSA-N
MW459.49 g/mol
LogP7.21
Rot. Bonds6

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

1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-methyl-N-phenyl-6H-benzo[c]chromen-8-amine (PubChem CID 70025892) has the molecular formula C28H23F2NO3 and a molecular weight of 459.49 g/mol. Its IUPAC name is 1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-methyl-N-phenyl-6H-benzo[c]chromen-8-amine.

Molecular Properties

Compound Name1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-methyl-N-phenyl-6H-benzo[c]chromen-8-amine
PubChem CID70025892
Molecular FormulaC28H23F2NO3
Molecular Weight459.49 g/mol
Exact Mass459.16
IUPAC Name1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-methyl-N-phenyl-6H-benzo[c]chromen-8-amine
SMILESCOc1cccc(C2Oc3cccc(OC(F)F)c3-c3ccc(N(C)c4ccccc4)cc32)c1
InChIInChI=1S/C28H23F2NO3/c1-31(19-9-4-3-5-10-19)20-14-15-22-23(17-20)27(18-8-6-11-21(16-18)32-2)33-24-12-7-13-25(26(22)24)34-28(29)30/h3-17,27-28H,1-2H3
InChIKeyXLZLTXTVEONLJX-UHFFFAOYSA-N
XLogP7.21
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.49
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-methyl-N-phenyl-6H-benzo[c]chromen-8-amine?
The IUPAC name of 1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-methyl-N-phenyl-6H-benzo[c]chromen-8-amine (CID 70025892) is 1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-methyl-N-phenyl-6H-benzo[c]chromen-8-amine.
What is the SMILES notation for 1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-methyl-N-phenyl-6H-benzo[c]chromen-8-amine?
The canonical SMILES for 1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-methyl-N-phenyl-6H-benzo[c]chromen-8-amine is COc1cccc(C2Oc3cccc(OC(F)F)c3-c3ccc(N(C)c4ccccc4)cc32)c1.
What is the InChIKey of 1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-methyl-N-phenyl-6H-benzo[c]chromen-8-amine?
The InChIKey is XLZLTXTVEONLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2NO3/c1-31(19-9-4-3-5-10-19)20-14-15-22-23(17-20)27(18-8-6-11-21(16-18)32-2)33-24-12-7-13-25(26(22)24)34-28(29)30/h3-17,27-28H,1-2H3.
What are the key properties of 1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-methyl-N-phenyl-6H-benzo[c]chromen-8-amine?
1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-methyl-N-phenyl-6H-benzo[c]chromen-8-amine has a molecular weight of 459.49 g/mol, XLogP of 7.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-methyl-N-phenyl-6H-benzo[c]chromen-8-amine is sourced from PubChem (CID 70025892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).