6-(24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole

C32H22N2O — CID 118502428

IUPAC6-(24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2c1c1c3ccccc3n(-c3ccc4ncoc4c3)c1c1ccccc21
InChIInChI=1S/C32H22N2O/c1-32(2)24-13-7-5-11-22(24)28-20-9-3-4-10-21(20)31-29(30(28)32)23-12-6-8-14-26(23)34(31)19-15-16-25-27(17-19)35-18-33-25/h3-18H,1-2H3
InChIKeyCBUDCYSBYIVTNI-UHFFFAOYSA-N
MW450.54 g/mol
LogP8.38
Rot. Bonds1

About 6-(24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole

6-(24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole (PubChem CID 118502428) has the molecular formula C32H22N2O and a molecular weight of 450.54 g/mol. Its IUPAC name is 6-(24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole
PubChem CID118502428
Molecular FormulaC32H22N2O
Molecular Weight450.54 g/mol
Exact Mass450.17
IUPAC Name6-(24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole
SMILESCC1(C)c2ccccc2-c2c1c1c3ccccc3n(-c3ccc4ncoc4c3)c1c1ccccc21
InChIInChI=1S/C32H22N2O/c1-32(2)24-13-7-5-11-22(24)28-20-9-3-4-10-21(20)31-29(30(28)32)23-12-6-8-14-26(23)34(31)19-15-16-25-27(17-19)35-18-33-25/h3-18H,1-2H3
InChIKeyCBUDCYSBYIVTNI-UHFFFAOYSA-N
XLogP8.38
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole?
The IUPAC name of 6-(24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole (CID 118502428) is 6-(24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-(24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole?
The canonical SMILES for 6-(24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole is CC1(C)c2ccccc2-c2c1c1c3ccccc3n(-c3ccc4ncoc4c3)c1c1ccccc21.
What is the InChIKey of 6-(24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole?
The InChIKey is CBUDCYSBYIVTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N2O/c1-32(2)24-13-7-5-11-22(24)28-20-9-3-4-10-21(20)31-29(30(28)32)23-12-6-8-14-26(23)34(31)19-15-16-25-27(17-19)35-18-33-25/h3-18H,1-2H3.
What are the key properties of 6-(24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole?
6-(24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole has a molecular weight of 450.54 g/mol, XLogP of 8.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzoxazole is sourced from PubChem (CID 118502428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).