10,10-dimethyl-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1,3(11),4,6,8,12,14(22),16,18,20-decaene

C23H17NS — CID 144803546

IUPAC10,10-dimethyl-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1,3(11),4,6,8,12,14(22),16,18,20-decaene
SMILESCC1(C)c2ccccc2-c2cc3[nH]c4c5ccccc5sc4c3cc21
InChIInChI=1S/C23H17NS/c1-23(2)17-9-5-3-7-13(17)15-12-19-16(11-18(15)23)22-21(24-19)14-8-4-6-10-20(14)25-22/h3-12,24H,1-2H3
InChIKeyZFJQIRPIOHEGPA-UHFFFAOYSA-N
MW339.46 g/mol
LogP6.84
Rot. Bonds

About 10,10-dimethyl-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1,3(11),4,6,8,12,14(22),16,18,20-decaene

10,10-dimethyl-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1,3(11),4,6,8,12,14(22),16,18,20-decaene (PubChem CID 144803546) has the molecular formula C23H17NS and a molecular weight of 339.46 g/mol. Its IUPAC name is 10,10-dimethyl-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1,3(11),4,6,8,12,14(22),16,18,20-decaene.

Molecular Properties

Compound Name10,10-dimethyl-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1,3(11),4,6,8,12,14(22),16,18,20-decaene
PubChem CID144803546
Molecular FormulaC23H17NS
Molecular Weight339.46 g/mol
Exact Mass339.11
IUPAC Name10,10-dimethyl-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1,3(11),4,6,8,12,14(22),16,18,20-decaene
SMILESCC1(C)c2ccccc2-c2cc3[nH]c4c5ccccc5sc4c3cc21
InChIInChI=1S/C23H17NS/c1-23(2)17-9-5-3-7-13(17)15-12-19-16(11-18(15)23)22-21(24-19)14-8-4-6-10-20(14)25-22/h3-12,24H,1-2H3
InChIKeyZFJQIRPIOHEGPA-UHFFFAOYSA-N
XLogP6.84
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.46
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 10,10-dimethyl-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1,3(11),4,6,8,12,14(22),16,18,20-decaene 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

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
N-dibenzothiophen-4-yl-N-[4-(7,7-dimethyl-5H-indeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-4-amine
CID 126702771
15,25,25-trimethyl-5-thia-15-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 145449904
3-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 134387503
4-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 59758491
9,11,11-trimethyl-5H-indeno[1,2-b]carbazole
CID 139479961
3,8-bis(9,9-dimethylfluoren-2-yl)-11,12-dihydroindolo[2,3-a]carbazole
CID 147990187
2-chloro-7,7-dimethyl-5H-indeno[2,1-b]carbazole
CID 141461619
1-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9H-carbazol-3-amine
CID 154697176
15,15-dimethyl-5-azaheptacyclo[14.12.0.02,14.04,12.06,11.018,27.020,25]octacosa-1(28),2(14),3,6,8,10,12,16,18(27),20,22,24-dodecaene-19,26-dione
CID 70798463
1-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 145331799
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1,3(11),4,6,8,12,14(22),16,18,20-decaene?
The IUPAC name of 10,10-dimethyl-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1,3(11),4,6,8,12,14(22),16,18,20-decaene (CID 144803546) is 10,10-dimethyl-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1,3(11),4,6,8,12,14(22),16,18,20-decaene.
What is the SMILES notation for 10,10-dimethyl-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1,3(11),4,6,8,12,14(22),16,18,20-decaene?
The canonical SMILES for 10,10-dimethyl-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1,3(11),4,6,8,12,14(22),16,18,20-decaene is CC1(C)c2ccccc2-c2cc3[nH]c4c5ccccc5sc4c3cc21.
What is the InChIKey of 10,10-dimethyl-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1,3(11),4,6,8,12,14(22),16,18,20-decaene?
The InChIKey is ZFJQIRPIOHEGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NS/c1-23(2)17-9-5-3-7-13(17)15-12-19-16(11-18(15)23)22-21(24-19)14-8-4-6-10-20(14)25-22/h3-12,24H,1-2H3.
What are the key properties of 10,10-dimethyl-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1,3(11),4,6,8,12,14(22),16,18,20-decaene?
10,10-dimethyl-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1,3(11),4,6,8,12,14(22),16,18,20-decaene has a molecular weight of 339.46 g/mol, XLogP of 6.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1,3(11),4,6,8,12,14(22),16,18,20-decaene is sourced from PubChem (CID 144803546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).