10,10-dimethyl-22-azahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene

C23H19N — CID 90135851

IUPAC10,10-dimethyl-22-azahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene
SMILESCC1(C)c2ccccc2-c2cc3[nH]c4cccc5c4c3c(c21)CC5
InChIInChI=1S/C23H19N/c1-23(2)17-8-4-3-7-14(17)16-12-19-21-15(22(16)23)11-10-13-6-5-9-18(24-19)20(13)21/h3-9,12,24H,10-11H2,1-2H3
InChIKeyGDPFTRDMQJXQKX-UHFFFAOYSA-N
MW309.41 g/mol
LogP5.73
Rot. Bonds

About 10,10-dimethyl-22-azahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene

10,10-dimethyl-22-azahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene (PubChem CID 90135851) has the molecular formula C23H19N and a molecular weight of 309.41 g/mol. Its IUPAC name is 10,10-dimethyl-22-azahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene.

Molecular Properties

Compound Name10,10-dimethyl-22-azahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene
PubChem CID90135851
Molecular FormulaC23H19N
Molecular Weight309.41 g/mol
Exact Mass309.15
IUPAC Name10,10-dimethyl-22-azahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene
SMILESCC1(C)c2ccccc2-c2cc3[nH]c4cccc5c4c3c(c21)CC5
InChIInChI=1S/C23H19N/c1-23(2)17-8-4-3-7-14(17)16-12-19-21-15(22(16)23)11-10-13-6-5-9-18(24-19)20(13)21/h3-9,12,24H,10-11H2,1-2H3
InChIKeyGDPFTRDMQJXQKX-UHFFFAOYSA-N
XLogP5.73
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 10,10-dimethyl-22-azahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-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

4-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]-9H-carbazole
CID 170091383
11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene
CID 66805182
15,15-dimethyl-23-phenyl-9,23-diazahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene
CID 90270217
9,9-dimethyl-1-phenylfluorene;methane
CID 142541097
10,10-dimethyl-9-(2-nitrophenyl)-5H-indeno[1,2-b]indole
CID 90257397
19,19-dimethyl-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 126738032
10,10-dimethyl-8-phenyl-5H-indeno[1,2-b]indole
CID 144827773
2-(9,9-dimethylfluoren-2-yl)-9H-carbazole
CID 126651978
2-N-[7-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)-9,9-dimethylfluoren-2-yl]-2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine
CID 118065693
2-chloro-7,7-dimethyl-5H-indeno[2,1-b]carbazole
CID 141461619
3-[3,5-bis(9,9-dimethylfluoren-1-yl)phenyl]phenanthrene
CID 123769360
3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenylaniline
CID 154972967

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-22-azahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene?
The IUPAC name of 10,10-dimethyl-22-azahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene (CID 90135851) is 10,10-dimethyl-22-azahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene.
What is the SMILES notation for 10,10-dimethyl-22-azahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene?
The canonical SMILES for 10,10-dimethyl-22-azahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene is CC1(C)c2ccccc2-c2cc3[nH]c4cccc5c4c3c(c21)CC5.
What is the InChIKey of 10,10-dimethyl-22-azahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene?
The InChIKey is GDPFTRDMQJXQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N/c1-23(2)17-8-4-3-7-14(17)16-12-19-21-15(22(16)23)11-10-13-6-5-9-18(24-19)20(13)21/h3-9,12,24H,10-11H2,1-2H3.
What are the key properties of 10,10-dimethyl-22-azahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene?
10,10-dimethyl-22-azahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene has a molecular weight of 309.41 g/mol, XLogP of 5.73, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-22-azahexacyclo[17.2.1.03,11.04,9.012,21.015,20]docosa-1(21),2,4,6,8,11,15(20),16,18-nonaene is sourced from PubChem (CID 90135851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).