(1R,8R)-1,3,8,10-tetramethyl-5,12-diphenyl-7,14-dioxa-4,5,11,12-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraene

C25H24N4O2 — CID 1120801

IUPAC(1R,8R)-1,3,8,10-tetramethyl-5,12-diphenyl-7,14-dioxa-4,5,11,12-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraene
SMILESCc1nn(-c2ccccc2)c2c1[C@@]1(C)C[C@@](C)(O2)c2c(C)nn(-c3ccccc3)c2O1
InChIInChI=1S/C25H24N4O2/c1-16-20-22(28(26-16)18-11-7-5-8-12-18)30-25(4)15-24(20,3)31-23-21(25)17(2)27-29(23)19-13-9-6-10-14-19/h5-14H,15H2,1-4H3/t24-,25-/m1/s1
InChIKeyBSONLUOANXJZKZ-JWQCQUIFSA-N
MW412.49 g/mol
LogP4.98
Rot. Bonds2

About (1R,8R)-1,3,8,10-tetramethyl-5,12-diphenyl-7,14-dioxa-4,5,11,12-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraene

(1R,8R)-1,3,8,10-tetramethyl-5,12-diphenyl-7,14-dioxa-4,5,11,12-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraene (PubChem CID 1120801) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is (1R,8R)-1,3,8,10-tetramethyl-5,12-diphenyl-7,14-dioxa-4,5,11,12-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraene.

Molecular Properties

Compound Name(1R,8R)-1,3,8,10-tetramethyl-5,12-diphenyl-7,14-dioxa-4,5,11,12-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraene
PubChem CID1120801
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name(1R,8R)-1,3,8,10-tetramethyl-5,12-diphenyl-7,14-dioxa-4,5,11,12-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraene
SMILESCc1nn(-c2ccccc2)c2c1[C@@]1(C)C[C@@](C)(O2)c2c(C)nn(-c3ccccc3)c2O1
InChIInChI=1S/C25H24N4O2/c1-16-20-22(28(26-16)18-11-7-5-8-12-18)30-25(4)15-24(20,3)31-23-21(25)17(2)27-29(23)19-13-9-6-10-14-19/h5-14H,15H2,1-4H3/t24-,25-/m1/s1
InChIKeyBSONLUOANXJZKZ-JWQCQUIFSA-N
XLogP4.98
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1R,8R)-1,3,8,10-tetramethyl-5,12-diphenyl-7,14-dioxa-4,5,11,12-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraene with MolForge

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Related Compounds

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CID 71489182
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Frequently Asked Questions

What is the IUPAC name of (1R,8R)-1,3,8,10-tetramethyl-5,12-diphenyl-7,14-dioxa-4,5,11,12-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraene?
The IUPAC name of (1R,8R)-1,3,8,10-tetramethyl-5,12-diphenyl-7,14-dioxa-4,5,11,12-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraene (CID 1120801) is (1R,8R)-1,3,8,10-tetramethyl-5,12-diphenyl-7,14-dioxa-4,5,11,12-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraene.
What is the SMILES notation for (1R,8R)-1,3,8,10-tetramethyl-5,12-diphenyl-7,14-dioxa-4,5,11,12-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraene?
The canonical SMILES for (1R,8R)-1,3,8,10-tetramethyl-5,12-diphenyl-7,14-dioxa-4,5,11,12-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraene is Cc1nn(-c2ccccc2)c2c1[C@@]1(C)C[C@@](C)(O2)c2c(C)nn(-c3ccccc3)c2O1.
What is the InChIKey of (1R,8R)-1,3,8,10-tetramethyl-5,12-diphenyl-7,14-dioxa-4,5,11,12-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraene?
The InChIKey is BSONLUOANXJZKZ-JWQCQUIFSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-16-20-22(28(26-16)18-11-7-5-8-12-18)30-25(4)15-24(20,3)31-23-21(25)17(2)27-29(23)19-13-9-6-10-14-19/h5-14H,15H2,1-4H3/t24-,25-/m1/s1.
What are the key properties of (1R,8R)-1,3,8,10-tetramethyl-5,12-diphenyl-7,14-dioxa-4,5,11,12-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraene?
(1R,8R)-1,3,8,10-tetramethyl-5,12-diphenyl-7,14-dioxa-4,5,11,12-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraene has a molecular weight of 412.49 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-1,3,8,10-tetramethyl-5,12-diphenyl-7,14-dioxa-4,5,11,12-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraene is sourced from PubChem (CID 1120801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).