8,8-dimethyl-1,18-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,19]tricosa-2(7),5,9,11,13(23),14(22),15(19),16,20-nonaene

C23H20N2 — CID 144631831

IUPAC8,8-dimethyl-1,18-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,19]tricosa-2(7),5,9,11,13(23),14(22),15(19),16,20-nonaene
SMILESCC1(C)C2=C(CCC=C2)n2c3ccc4[nH]ccc4c3c3cccc1c32
InChIInChI=1S/C23H20N2/c1-23(2)16-7-3-4-9-19(16)25-20-11-10-18-14(12-13-24-18)21(20)15-6-5-8-17(23)22(15)25/h3,5-8,10-13,24H,4,9H2,1-2H3
InChIKeyMVOPRBXRSCOPRV-UHFFFAOYSA-N
MW324.43 g/mol
LogP6.13
Rot. Bonds

About 8,8-dimethyl-1,18-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,19]tricosa-2(7),5,9,11,13(23),14(22),15(19),16,20-nonaene

8,8-dimethyl-1,18-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,19]tricosa-2(7),5,9,11,13(23),14(22),15(19),16,20-nonaene (PubChem CID 144631831) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 8,8-dimethyl-1,18-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,19]tricosa-2(7),5,9,11,13(23),14(22),15(19),16,20-nonaene.

Molecular Properties

Compound Name8,8-dimethyl-1,18-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,19]tricosa-2(7),5,9,11,13(23),14(22),15(19),16,20-nonaene
PubChem CID144631831
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name8,8-dimethyl-1,18-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,19]tricosa-2(7),5,9,11,13(23),14(22),15(19),16,20-nonaene
SMILESCC1(C)C2=C(CCC=C2)n2c3ccc4[nH]ccc4c3c3cccc1c32
InChIInChI=1S/C23H20N2/c1-23(2)16-7-3-4-9-19(16)25-20-11-10-18-14(12-13-24-18)21(20)15-6-5-8-17(23)22(15)25/h3,5-8,10-13,24H,4,9H2,1-2H3
InChIKeyMVOPRBXRSCOPRV-UHFFFAOYSA-N
XLogP6.13
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8,8-dimethyl-1,18-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,19]tricosa-2(7),5,9,11,13(23),14(22),15(19),16,20-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 123739218
10-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-yl)-5,5-dimethyl-1,2,4a,10a-tetrahydrophenothiazine
CID 163644936
13,13-dimethyl-N-(3-naphthalen-2-ylphenyl)-N,10-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15-octaen-5-amine
CID 70886014
N-(4-tert-butylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70886023
8,8,14,14-tetramethyl-5-(5,6,9,10-tetrahydrobenzo[b][1]benzazepin-11-yl)-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 70893333
N-(7,8-dihydronaphthalen-2-yl)-N-[4-(13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]naphthalen-1-amine
CID 70885802
7,7-dimethyl-15-(9-phenylcarbazol-3-yl)-5-thia-1-azapentacyclo[10.6.1.02,6.08,19.013,18]nonadeca-2(6),8,10,12(19),13(18),14,16-heptaene
CID 123699113
5-(9,9-dimethyl-10-phenyl-5,6-dihydroacridin-2-yl)phenanthridin-6-one
CID 90379869
13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 12555402
12-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163588387
10-[6-(9,9-dimethyl-3,4-dihydroacridin-10-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-9,9-dimethylacridine
CID 89111087
8,8,14,14-tetramethyl-11-naphthalen-1-yl-N,N-dinaphthalen-2-yl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16-octaen-5-amine
CID 70885876

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-1,18-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,19]tricosa-2(7),5,9,11,13(23),14(22),15(19),16,20-nonaene?
The IUPAC name of 8,8-dimethyl-1,18-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,19]tricosa-2(7),5,9,11,13(23),14(22),15(19),16,20-nonaene (CID 144631831) is 8,8-dimethyl-1,18-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,19]tricosa-2(7),5,9,11,13(23),14(22),15(19),16,20-nonaene.
What is the SMILES notation for 8,8-dimethyl-1,18-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,19]tricosa-2(7),5,9,11,13(23),14(22),15(19),16,20-nonaene?
The canonical SMILES for 8,8-dimethyl-1,18-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,19]tricosa-2(7),5,9,11,13(23),14(22),15(19),16,20-nonaene is CC1(C)C2=C(CCC=C2)n2c3ccc4[nH]ccc4c3c3cccc1c32.
What is the InChIKey of 8,8-dimethyl-1,18-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,19]tricosa-2(7),5,9,11,13(23),14(22),15(19),16,20-nonaene?
The InChIKey is MVOPRBXRSCOPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c1-23(2)16-7-3-4-9-19(16)25-20-11-10-18-14(12-13-24-18)21(20)15-6-5-8-17(23)22(15)25/h3,5-8,10-13,24H,4,9H2,1-2H3.
What are the key properties of 8,8-dimethyl-1,18-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,19]tricosa-2(7),5,9,11,13(23),14(22),15(19),16,20-nonaene?
8,8-dimethyl-1,18-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,19]tricosa-2(7),5,9,11,13(23),14(22),15(19),16,20-nonaene has a molecular weight of 324.43 g/mol, XLogP of 6.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-1,18-diazahexacyclo[11.9.1.02,7.09,23.014,22.015,19]tricosa-2(7),5,9,11,13(23),14(22),15(19),16,20-nonaene is sourced from PubChem (CID 144631831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).