14,14,20-trimethyl-23-oxa-20,21-diazahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-2(7),3,5,8(13),9,11,15(22),16,18-nonaene

C23H20N2O — CID 140744283

IUPAC14,14,20-trimethyl-23-oxa-20,21-diazahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-2(7),3,5,8(13),9,11,15(22),16,18-nonaene
SMILESCN1NC2c3c1cccc3C(C)(C)c1cccc3oc4cccc2c4c13
InChIInChI=1S/C23H20N2O/c1-23(2)14-8-5-10-16-20(14)22(24-25(16)3)13-7-4-11-17-19(13)21-15(23)9-6-12-18(21)26-17/h4-12,22,24H,1-3H3
InChIKeyNBUDHDIIHHAVGF-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.27
Rot. Bonds

About 14,14,20-trimethyl-23-oxa-20,21-diazahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-2(7),3,5,8(13),9,11,15(22),16,18-nonaene

14,14,20-trimethyl-23-oxa-20,21-diazahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-2(7),3,5,8(13),9,11,15(22),16,18-nonaene (PubChem CID 140744283) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 14,14,20-trimethyl-23-oxa-20,21-diazahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-2(7),3,5,8(13),9,11,15(22),16,18-nonaene.

Molecular Properties

Compound Name14,14,20-trimethyl-23-oxa-20,21-diazahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-2(7),3,5,8(13),9,11,15(22),16,18-nonaene
PubChem CID140744283
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name14,14,20-trimethyl-23-oxa-20,21-diazahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-2(7),3,5,8(13),9,11,15(22),16,18-nonaene
SMILESCN1NC2c3c1cccc3C(C)(C)c1cccc3oc4cccc2c4c13
InChIInChI=1S/C23H20N2O/c1-23(2)14-8-5-10-16-20(14)22(24-25(16)3)13-7-4-11-17-19(13)21-15(23)9-6-12-18(21)26-17/h4-12,22,24H,1-3H3
InChIKeyNBUDHDIIHHAVGF-UHFFFAOYSA-N
XLogP5.27
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 14,14,20-trimethyl-23-oxa-20,21-diazahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-2(7),3,5,8(13),9,11,15(22),16,18-nonaene with MolForge

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Related Compounds

14,14,20-trimethyl-23-oxahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-1(21),2(7),3,5,8(13),9,11,15,17,19(22)-decaene
CID 140917837
9,9,10-trimethylacridine
CID 610451
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9,9-dimethylacridine
CID 157278592
N,N-bis[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 122425331
2-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-1-yl]benzene-1,3-dicarbonitrile
CID 152826591
3-(9,9-dimethylacridin-10-yl)-6-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one
CID 121337021
12,12-dimethyl-9-propan-2-yl-20-oxa-4-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1(19),2,4,6(11),7,9,13(18),14,16-nonaene
CID 164814400
10,12,12-trimethyl-20-oxa-7-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13(18),14,16-nonaene
CID 164814685
2,4-di(dibenzofuran-1-yl)-N,N-bis(9,9-dimethylfluoren-2-yl)-1,2-dihydro-1,3,5-triazin-6-amine
CID 171727245
15-[4-(9,9-dimethylfluoren-4-yl)phenyl]-10-oxa-15-azanonacyclo[19.6.6.11,16.02,14.03,11.04,9.022,27.028,33.020,34]tetratriaconta-2(14),3(11),4,6,8,12,16,18,20(34),22,24,26,28,30,32-pentadecaene
CID 176747759
4,5-di(dibenzofuran-2-yl)-9-(9,9-dimethylfluoren-4-yl)carbazole
CID 154970897
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462

Frequently Asked Questions

What is the IUPAC name of 14,14,20-trimethyl-23-oxa-20,21-diazahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-2(7),3,5,8(13),9,11,15(22),16,18-nonaene?
The IUPAC name of 14,14,20-trimethyl-23-oxa-20,21-diazahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-2(7),3,5,8(13),9,11,15(22),16,18-nonaene (CID 140744283) is 14,14,20-trimethyl-23-oxa-20,21-diazahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-2(7),3,5,8(13),9,11,15(22),16,18-nonaene.
What is the SMILES notation for 14,14,20-trimethyl-23-oxa-20,21-diazahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-2(7),3,5,8(13),9,11,15(22),16,18-nonaene?
The canonical SMILES for 14,14,20-trimethyl-23-oxa-20,21-diazahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-2(7),3,5,8(13),9,11,15(22),16,18-nonaene is CN1NC2c3c1cccc3C(C)(C)c1cccc3oc4cccc2c4c13.
What is the InChIKey of 14,14,20-trimethyl-23-oxa-20,21-diazahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-2(7),3,5,8(13),9,11,15(22),16,18-nonaene?
The InChIKey is NBUDHDIIHHAVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-23(2)14-8-5-10-16-20(14)22(24-25(16)3)13-7-4-11-17-19(13)21-15(23)9-6-12-18(21)26-17/h4-12,22,24H,1-3H3.
What are the key properties of 14,14,20-trimethyl-23-oxa-20,21-diazahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-2(7),3,5,8(13),9,11,15(22),16,18-nonaene?
14,14,20-trimethyl-23-oxa-20,21-diazahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-2(7),3,5,8(13),9,11,15(22),16,18-nonaene has a molecular weight of 340.43 g/mol, XLogP of 5.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14,20-trimethyl-23-oxa-20,21-diazahexacyclo[13.6.1.16,9.02,7.08,13.019,22]tricosa-2(7),3,5,8(13),9,11,15(22),16,18-nonaene is sourced from PubChem (CID 140744283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).