10-(1-adamantyl)-20-oxa-1-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene

C30H25NO — CID 59221820

IUPAC10-(1-adamantyl)-20-oxa-1-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene
SMILESc1ccc2c(c1)oc1c2c2cc(C34CC5CC(CC(C5)C3)C4)cc3c4ccccc4n1c32
InChIInChI=1S/C30H25NO/c1-3-7-25-21(5-1)23-12-20(30-14-17-9-18(15-30)11-19(10-17)16-30)13-24-27-22-6-2-4-8-26(22)32-29(27)31(25)28(23)24/h1-8,12-13,17-19H,9-11,14-16H2
InChIKeyXREDEMIOIVYGDT-UHFFFAOYSA-N
MW415.54 g/mol
LogP8.05
Rot. Bonds1

About 10-(1-adamantyl)-20-oxa-1-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene

10-(1-adamantyl)-20-oxa-1-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene (PubChem CID 59221820) has the molecular formula C30H25NO and a molecular weight of 415.54 g/mol. Its IUPAC name is 10-(1-adamantyl)-20-oxa-1-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene.

Molecular Properties

Compound Name10-(1-adamantyl)-20-oxa-1-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene
PubChem CID59221820
Molecular FormulaC30H25NO
Molecular Weight415.54 g/mol
Exact Mass415.19
IUPAC Name10-(1-adamantyl)-20-oxa-1-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene
SMILESc1ccc2c(c1)oc1c2c2cc(C34CC5CC(CC(C5)C3)C4)cc3c4ccccc4n1c32
InChIInChI=1S/C30H25NO/c1-3-7-25-21(5-1)23-12-20(30-14-17-9-18(15-30)11-19(10-17)16-30)13-24-27-22-6-2-4-8-26(22)32-29(27)31(25)28(23)24/h1-8,12-13,17-19H,9-11,14-16H2
InChIKeyXREDEMIOIVYGDT-UHFFFAOYSA-N
XLogP8.05
TPSA17.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-(1-adamantyl)-20-oxa-1-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene with MolForge

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Related Compounds

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CID 169027749
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CID 169027931
6,11,32-tris(3,5-ditert-butylphenyl)-22-oxa-15,20-diazadecacyclo[18.13.1.14,8.02,19.03,16.09,14.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),4,6,8(35),9(14),10,12,17,21(29),23,25,27,30(34),31-hexadecaene
CID 177285843
4,23-dioxa-1,20-diazaundecacyclo[19.17.1.12,13.03,11.05,10.014,19.022,30.024,29.032,39.033,38.020,40]tetraconta-2(40),3(11),5,7,9,12,14,16,18,21(39),22(30),24,26,28,31,33,35,37-octadecaene
CID 171595148
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CID 177112962
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CID 159416306
2-(1-adamantyl)-7-[4-(8-deuteriodibenzofuran-4-yl)-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 169054812
6-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-b]indole
CID 121298654
3-N-[3-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275902
2-(3-ethyl-3-bicyclo[3.2.1]octanyl)-12-methyl-[1]benzofuro[3,2-a]carbazole
CID 170105915
N,N-diphenyl-4-[9,14,32-tris(3,5-ditert-butylphenyl)-22-oxa-5,20-diazadecacyclo[18.13.1.15,12.02,19.04,17.06,11.021,29.023,28.030,34.016,35]pentatriaconta-1(34),2,4(17),6(11),7,9,12(35),13,15,18,21(29),23,25,27,30,32-hexadecaen-7-yl]aniline
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CID 169055103

Frequently Asked Questions

What is the IUPAC name of 10-(1-adamantyl)-20-oxa-1-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene?
The IUPAC name of 10-(1-adamantyl)-20-oxa-1-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene (CID 59221820) is 10-(1-adamantyl)-20-oxa-1-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene.
What is the SMILES notation for 10-(1-adamantyl)-20-oxa-1-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene?
The canonical SMILES for 10-(1-adamantyl)-20-oxa-1-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene is c1ccc2c(c1)oc1c2c2cc(C34CC5CC(CC(C5)C3)C4)cc3c4ccccc4n1c32.
What is the InChIKey of 10-(1-adamantyl)-20-oxa-1-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene?
The InChIKey is XREDEMIOIVYGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO/c1-3-7-25-21(5-1)23-12-20(30-14-17-9-18(15-30)11-19(10-17)16-30)13-24-27-22-6-2-4-8-26(22)32-29(27)31(25)28(23)24/h1-8,12-13,17-19H,9-11,14-16H2.
What are the key properties of 10-(1-adamantyl)-20-oxa-1-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene?
10-(1-adamantyl)-20-oxa-1-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene has a molecular weight of 415.54 g/mol, XLogP of 8.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-adamantyl)-20-oxa-1-azahexacyclo[10.9.1.02,7.08,22.013,21.014,19]docosa-2,4,6,8(22),9,11,13(21),14,16,18-decaene is sourced from PubChem (CID 59221820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).