15,15-dimethyl-8-oxa-4-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene

C24H17NO — CID 145354214

IUPAC15,15-dimethyl-8-oxa-4-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene
SMILESCC1(C)c2ccccc2-c2cc3c4c(cccc4c21)Oc1ccncc1-3
InChIInChI=1S/C24H17NO/c1-24(2)19-8-4-3-6-14(19)17-12-16-18-13-25-11-10-20(18)26-21-9-5-7-15(22(16)21)23(17)24/h3-13H,1-2H3
InChIKeyQPSYHOTXAYCLBP-UHFFFAOYSA-N
MW335.41 g/mol
LogP6.31
Rot. Bonds

About 15,15-dimethyl-8-oxa-4-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene

15,15-dimethyl-8-oxa-4-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene (PubChem CID 145354214) has the molecular formula C24H17NO and a molecular weight of 335.41 g/mol. Its IUPAC name is 15,15-dimethyl-8-oxa-4-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene.

Molecular Properties

Compound Name15,15-dimethyl-8-oxa-4-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene
PubChem CID145354214
Molecular FormulaC24H17NO
Molecular Weight335.41 g/mol
Exact Mass335.13
IUPAC Name15,15-dimethyl-8-oxa-4-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene
SMILESCC1(C)c2ccccc2-c2cc3c4c(cccc4c21)Oc1ccncc1-3
InChIInChI=1S/C24H17NO/c1-24(2)19-8-4-3-6-14(19)17-12-16-18-13-25-11-10-20(18)26-21-9-5-7-15(22(16)21)23(17)24/h3-13H,1-2H3
InChIKeyQPSYHOTXAYCLBP-UHFFFAOYSA-N
XLogP6.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15,15-dimethyl-8-oxa-4-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene with MolForge

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Related Compounds

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CID 177127970
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CID 171046100
9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 122493264
11,11-dimethylindeno[1,2-c]quinoline
CID 164705506
20-tert-butyl-8,8,32,32-tetramethyl-1-boraundecacyclo[20.16.1.12,6.123,34.07,15.09,14.018,39.025,33.026,31.017,41.038,40]hentetraconta-2(41),3,5,7(15),9,11,13,16,18,20,22(39),23,25(33),26,28,30,34,36,38(40)-nonadecaene
CID 153205201
N,N-bis(4-phenylphenyl)-8-oxa-4-azapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(23),2(7),3,5,9,11,13,15,17,19,21-undecaen-20-amine
CID 162774273
10-(9,9-dimethylfluoren-1-yl)-5-phenylbenzo[g]isoquinoline
CID 59183637
10-(9,9-dimethylfluoren-1-yl)-5-naphthalen-1-ylbenzo[g]isoquinoline
CID 59183079
4-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]-9H-carbazole
CID 170091383
8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-amine
CID 149297949
N-(4-fluorophenyl)-9,9-dimethyl-N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]fluoren-3-amine
CID 122493263
7-[3-[3-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine
CID 177115944

Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-8-oxa-4-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene?
The IUPAC name of 15,15-dimethyl-8-oxa-4-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene (CID 145354214) is 15,15-dimethyl-8-oxa-4-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene.
What is the SMILES notation for 15,15-dimethyl-8-oxa-4-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene?
The canonical SMILES for 15,15-dimethyl-8-oxa-4-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene is CC1(C)c2ccccc2-c2cc3c4c(cccc4c21)Oc1ccncc1-3.
What is the InChIKey of 15,15-dimethyl-8-oxa-4-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene?
The InChIKey is QPSYHOTXAYCLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO/c1-24(2)19-8-4-3-6-14(19)17-12-16-18-13-25-11-10-20(18)26-21-9-5-7-15(22(16)21)23(17)24/h3-13H,1-2H3.
What are the key properties of 15,15-dimethyl-8-oxa-4-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene?
15,15-dimethyl-8-oxa-4-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene has a molecular weight of 335.41 g/mol, XLogP of 6.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dimethyl-8-oxa-4-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2(7),3,5,9,11,13,16,18,20,22-undecaene is sourced from PubChem (CID 145354214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).