(1R,4R)-6-methyl-8-naphthalen-1-yl-1,2,4-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine

C36H29NO2 — CID 132584823

IUPAC(1R,4R)-6-methyl-8-naphthalen-1-yl-1,2,4-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine
SMILESCc1oc(-c2cccc3ccccc23)c2c1C[C@H](c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccccc1
InChIInChI=1S/C36H29NO2/c1-25-32-24-33(27-15-5-2-6-16-27)39-37(29-20-9-4-10-21-29)35(28-17-7-3-8-18-28)34(32)36(38-25)31-23-13-19-26-14-11-12-22-30(26)31/h2-23,33,35H,24H2,1H3/t33-,35-/m1/s1
InChIKeyKZSYVBIEOSBDSV-VLZNPVHKSA-N
MW507.63 g/mol
LogP9.23
Rot. Bonds4

About (1R,4R)-6-methyl-8-naphthalen-1-yl-1,2,4-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine

(1R,4R)-6-methyl-8-naphthalen-1-yl-1,2,4-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine (PubChem CID 132584823) has the molecular formula C36H29NO2 and a molecular weight of 507.63 g/mol. Its IUPAC name is (1R,4R)-6-methyl-8-naphthalen-1-yl-1,2,4-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine.

Molecular Properties

Compound Name(1R,4R)-6-methyl-8-naphthalen-1-yl-1,2,4-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine
PubChem CID132584823
Molecular FormulaC36H29NO2
Molecular Weight507.63 g/mol
Exact Mass507.22
IUPAC Name(1R,4R)-6-methyl-8-naphthalen-1-yl-1,2,4-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine
SMILESCc1oc(-c2cccc3ccccc23)c2c1C[C@H](c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccccc1
InChIInChI=1S/C36H29NO2/c1-25-32-24-33(27-15-5-2-6-16-27)39-37(29-20-9-4-10-21-29)35(28-17-7-3-8-18-28)34(32)36(38-25)31-23-13-19-26-14-11-12-22-30(26)31/h2-23,33,35H,24H2,1H3/t33-,35-/m1/s1
InChIKeyKZSYVBIEOSBDSV-VLZNPVHKSA-N
XLogP9.23
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.63
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,4R)-6-methyl-8-naphthalen-1-yl-1,2,4-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine with MolForge

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Related Compounds

(1S,4R)-1-(furan-2-yl)-6-methyl-2,4,8-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine
CID 132584819
(1S,4R)-4-(4-bromophenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine
CID 102041986
3-methyl-2,5-dinaphthalen-1-yl-4-phenylfuran
CID 167273811
(1S,4S)-4-(furan-2-yl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine
CID 102041984
(2S,5R)-8-(4-methoxyphenyl)-2,4,5,6-tetraphenyl-5H-furo[3,4-d][1,6,2]dioxazepine
CID 102416207
4-(4-methylphenyl)-2-phenyl-2,3-dihydrobenzo[g][1]benzofuran
CID 132575879
1-(4,6-dimethyl-2-naphthalen-1-ylpyrimidin-5-yl)-N-methylmethanamine
CID 62744265
3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]-2,1-benzoxazole
CID 18874844
5-methyl-4-naphthalen-1-yl-2-phenyl-1,3-oxazole
CID 42611623
ethyl 6-(4-methoxyphenyl)-1-methyl-3-naphthalen-1-yl-4-phenyl-6H-cyclopenta[c]furan-5-carboxylate
CID 102523921
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-6-methyl-8-naphthalen-1-yl-1,2,4-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine?
The IUPAC name of (1R,4R)-6-methyl-8-naphthalen-1-yl-1,2,4-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine (CID 132584823) is (1R,4R)-6-methyl-8-naphthalen-1-yl-1,2,4-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine.
What is the SMILES notation for (1R,4R)-6-methyl-8-naphthalen-1-yl-1,2,4-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine?
The canonical SMILES for (1R,4R)-6-methyl-8-naphthalen-1-yl-1,2,4-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine is Cc1oc(-c2cccc3ccccc23)c2c1C[C@H](c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccccc1.
What is the InChIKey of (1R,4R)-6-methyl-8-naphthalen-1-yl-1,2,4-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine?
The InChIKey is KZSYVBIEOSBDSV-VLZNPVHKSA-N. The full InChI is InChI=1S/C36H29NO2/c1-25-32-24-33(27-15-5-2-6-16-27)39-37(29-20-9-4-10-21-29)35(28-17-7-3-8-18-28)34(32)36(38-25)31-23-13-19-26-14-11-12-22-30(26)31/h2-23,33,35H,24H2,1H3/t33-,35-/m1/s1.
What are the key properties of (1R,4R)-6-methyl-8-naphthalen-1-yl-1,2,4-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine?
(1R,4R)-6-methyl-8-naphthalen-1-yl-1,2,4-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine has a molecular weight of 507.63 g/mol, XLogP of 9.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-6-methyl-8-naphthalen-1-yl-1,2,4-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine is sourced from PubChem (CID 132584823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).