(1R,6S,7R)-3,3-dimethyl-7,9-diphenyl-4,17-dioxa-10-azatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,13,15-tetraene

C28H27NO2 — CID 7336270

IUPAC(1R,6S,7R)-3,3-dimethyl-7,9-diphenyl-4,17-dioxa-10-azatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,13,15-tetraene
SMILESCC1(C)C[C@]23Oc4ccccc4N2C(c2ccccc2)=C[C@@H](c2ccccc2)[C@H]3CO1
InChIInChI=1S/C28H27NO2/c1-27(2)19-28-23(18-30-27)22(20-11-5-3-6-12-20)17-25(21-13-7-4-8-14-21)29(28)24-15-9-10-16-26(24)31-28/h3-17,22-23H,18-19H2,1-2H3/t22-,23+,28+/m0/s1
InChIKeyFVYWBKDBHKJWES-SXDGJLEOSA-N
MW409.53 g/mol
LogP6.24
Rot. Bonds2

About (1R,6S,7R)-3,3-dimethyl-7,9-diphenyl-4,17-dioxa-10-azatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,13,15-tetraene

(1R,6S,7R)-3,3-dimethyl-7,9-diphenyl-4,17-dioxa-10-azatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,13,15-tetraene (PubChem CID 7336270) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is (1R,6S,7R)-3,3-dimethyl-7,9-diphenyl-4,17-dioxa-10-azatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,13,15-tetraene.

Molecular Properties

Compound Name(1R,6S,7R)-3,3-dimethyl-7,9-diphenyl-4,17-dioxa-10-azatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,13,15-tetraene
PubChem CID7336270
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC Name(1R,6S,7R)-3,3-dimethyl-7,9-diphenyl-4,17-dioxa-10-azatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,13,15-tetraene
SMILESCC1(C)C[C@]23Oc4ccccc4N2C(c2ccccc2)=C[C@@H](c2ccccc2)[C@H]3CO1
InChIInChI=1S/C28H27NO2/c1-27(2)19-28-23(18-30-27)22(20-11-5-3-6-12-20)17-25(21-13-7-4-8-14-21)29(28)24-15-9-10-16-26(24)31-28/h3-17,22-23H,18-19H2,1-2H3/t22-,23+,28+/m0/s1
InChIKeyFVYWBKDBHKJWES-SXDGJLEOSA-N
XLogP6.24
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,6S,7R)-3,3-dimethyl-7,9-diphenyl-4,17-dioxa-10-azatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,13,15-tetraene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,6S,7R)-3,3-dimethyl-7,9-diphenyl-4,17-dioxa-10-azatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,13,15-tetraene?
The IUPAC name of (1R,6S,7R)-3,3-dimethyl-7,9-diphenyl-4,17-dioxa-10-azatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,13,15-tetraene (CID 7336270) is (1R,6S,7R)-3,3-dimethyl-7,9-diphenyl-4,17-dioxa-10-azatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,13,15-tetraene.
What is the SMILES notation for (1R,6S,7R)-3,3-dimethyl-7,9-diphenyl-4,17-dioxa-10-azatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,13,15-tetraene?
The canonical SMILES for (1R,6S,7R)-3,3-dimethyl-7,9-diphenyl-4,17-dioxa-10-azatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,13,15-tetraene is CC1(C)C[C@]23Oc4ccccc4N2C(c2ccccc2)=C[C@@H](c2ccccc2)[C@H]3CO1.
What is the InChIKey of (1R,6S,7R)-3,3-dimethyl-7,9-diphenyl-4,17-dioxa-10-azatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,13,15-tetraene?
The InChIKey is FVYWBKDBHKJWES-SXDGJLEOSA-N. The full InChI is InChI=1S/C28H27NO2/c1-27(2)19-28-23(18-30-27)22(20-11-5-3-6-12-20)17-25(21-13-7-4-8-14-21)29(28)24-15-9-10-16-26(24)31-28/h3-17,22-23H,18-19H2,1-2H3/t22-,23+,28+/m0/s1.
What are the key properties of (1R,6S,7R)-3,3-dimethyl-7,9-diphenyl-4,17-dioxa-10-azatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,13,15-tetraene?
(1R,6S,7R)-3,3-dimethyl-7,9-diphenyl-4,17-dioxa-10-azatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,13,15-tetraene has a molecular weight of 409.53 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,7R)-3,3-dimethyl-7,9-diphenyl-4,17-dioxa-10-azatetracyclo[8.7.0.01,6.011,16]heptadeca-8,11,13,15-tetraene is sourced from PubChem (CID 7336270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).