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

C34H27F2NO3 — CID 70025909

IUPACN-benzyl-1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-phenyl-6H-benzo[c]chromen-8-amine
SMILESCOc1cccc(C2Oc3cccc(OC(F)F)c3-c3ccc(N(Cc4ccccc4)c4ccccc4)cc32)c1
InChIInChI=1S/C34H27F2NO3/c1-38-27-15-8-12-24(20-27)33-29-21-26(37(25-13-6-3-7-14-25)22-23-10-4-2-5-11-23)18-19-28(29)32-30(39-33)16-9-17-31(32)40-34(35)36/h2-21,33-34H,22H2,1H3
InChIKeyNTSKWIPESXNUJJ-UHFFFAOYSA-N
MW535.59 g/mol
LogP8.78
Rot. Bonds8

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

N-benzyl-1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-phenyl-6H-benzo[c]chromen-8-amine (PubChem CID 70025909) has the molecular formula C34H27F2NO3 and a molecular weight of 535.59 g/mol. Its IUPAC name is N-benzyl-1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-phenyl-6H-benzo[c]chromen-8-amine.

Molecular Properties

Compound NameN-benzyl-1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-phenyl-6H-benzo[c]chromen-8-amine
PubChem CID70025909
Molecular FormulaC34H27F2NO3
Molecular Weight535.59 g/mol
Exact Mass535.20
IUPAC NameN-benzyl-1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-phenyl-6H-benzo[c]chromen-8-amine
SMILESCOc1cccc(C2Oc3cccc(OC(F)F)c3-c3ccc(N(Cc4ccccc4)c4ccccc4)cc32)c1
InChIInChI=1S/C34H27F2NO3/c1-38-27-15-8-12-24(20-27)33-29-21-26(37(25-13-6-3-7-14-25)22-23-10-4-2-5-11-23)18-19-28(29)32-30(39-33)16-9-17-31(32)40-34(35)36/h2-21,33-34H,22H2,1H3
InChIKeyNTSKWIPESXNUJJ-UHFFFAOYSA-N
XLogP8.78
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.59
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-phenyl-6H-benzo[c]chromen-8-amine?
The IUPAC name of N-benzyl-1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-phenyl-6H-benzo[c]chromen-8-amine (CID 70025909) is N-benzyl-1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-phenyl-6H-benzo[c]chromen-8-amine.
What is the SMILES notation for N-benzyl-1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-phenyl-6H-benzo[c]chromen-8-amine?
The canonical SMILES for N-benzyl-1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-phenyl-6H-benzo[c]chromen-8-amine is COc1cccc(C2Oc3cccc(OC(F)F)c3-c3ccc(N(Cc4ccccc4)c4ccccc4)cc32)c1.
What is the InChIKey of N-benzyl-1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-phenyl-6H-benzo[c]chromen-8-amine?
The InChIKey is NTSKWIPESXNUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27F2NO3/c1-38-27-15-8-12-24(20-27)33-29-21-26(37(25-13-6-3-7-14-25)22-23-10-4-2-5-11-23)18-19-28(29)32-30(39-33)16-9-17-31(32)40-34(35)36/h2-21,33-34H,22H2,1H3.
What are the key properties of N-benzyl-1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-phenyl-6H-benzo[c]chromen-8-amine?
N-benzyl-1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-phenyl-6H-benzo[c]chromen-8-amine has a molecular weight of 535.59 g/mol, XLogP of 8.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(difluoromethoxy)-6-(3-methoxyphenyl)-N-phenyl-6H-benzo[c]chromen-8-amine is sourced from PubChem (CID 70025909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).