9-dibenzothiophen-1-yl-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

C37H25NS — CID 122464666

IUPAC9-dibenzothiophen-1-yl-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESCC1(C)c2ccc3ccccc3c2-c2ccc3c(c21)c1ccccc1n3-c1cccc2sc3ccccc3c12
InChIInChI=1S/C37H25NS/c1-37(2)27-20-18-22-10-3-4-11-23(22)33(27)26-19-21-30-35(36(26)37)24-12-5-7-14-28(24)38(30)29-15-9-17-32-34(29)25-13-6-8-16-31(25)39-32/h3-21H,1-2H3
InChIKeyQQCNBSSDQIMIBS-UHFFFAOYSA-N
MW515.68 g/mol
LogP10.61
Rot. Bonds1

About 9-dibenzothiophen-1-yl-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

9-dibenzothiophen-1-yl-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (PubChem CID 122464666) has the molecular formula C37H25NS and a molecular weight of 515.68 g/mol. Its IUPAC name is 9-dibenzothiophen-1-yl-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name9-dibenzothiophen-1-yl-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
PubChem CID122464666
Molecular FormulaC37H25NS
Molecular Weight515.68 g/mol
Exact Mass515.17
IUPAC Name9-dibenzothiophen-1-yl-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESCC1(C)c2ccc3ccccc3c2-c2ccc3c(c21)c1ccccc1n3-c1cccc2sc3ccccc3c12
InChIInChI=1S/C37H25NS/c1-37(2)27-20-18-22-10-3-4-11-23(22)33(27)26-19-21-30-35(36(26)37)24-12-5-7-14-28(24)38(30)29-15-9-17-32-34(29)25-13-6-8-16-31(25)39-32/h3-21H,1-2H3
InChIKeyQQCNBSSDQIMIBS-UHFFFAOYSA-N
XLogP10.61
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.68
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-dibenzothiophen-1-yl-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene 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

9-(4,6-diphenylpyrimidin-2-yl)-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 122464817
9-dibenzothiophen-1-yl-14-(2-naphthalen-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167157227
9-dibenzothiophen-1-yl-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 122465493
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenanthren-1-ylcarbazole
CID 163630750
3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90310025
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
4-dibenzothiophen-1-yl-6-[4-(7,7-dimethylbenzo[g]fluoren-8-yl)naphthalen-1-yl]-2-phenylpyrimidine
CID 168778055
2-(14,14-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-9-yl)-1,3-benzothiazole
CID 122464529
14-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 130334563
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
5-(9,9-dimethylfluoren-1-yl)-[1]benzothiolo[3,2-c]carbazole
CID 118503087
23-dibenzothiophen-1-yl-12-phenyl-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 122465477

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-1-yl-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The IUPAC name of 9-dibenzothiophen-1-yl-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (CID 122464666) is 9-dibenzothiophen-1-yl-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 9-dibenzothiophen-1-yl-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The canonical SMILES for 9-dibenzothiophen-1-yl-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is CC1(C)c2ccc3ccccc3c2-c2ccc3c(c21)c1ccccc1n3-c1cccc2sc3ccccc3c12.
What is the InChIKey of 9-dibenzothiophen-1-yl-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The InChIKey is QQCNBSSDQIMIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25NS/c1-37(2)27-20-18-22-10-3-4-11-23(22)33(27)26-19-21-30-35(36(26)37)24-12-5-7-14-28(24)38(30)29-15-9-17-32-34(29)25-13-6-8-16-31(25)39-32/h3-21H,1-2H3.
What are the key properties of 9-dibenzothiophen-1-yl-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
9-dibenzothiophen-1-yl-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene has a molecular weight of 515.68 g/mol, XLogP of 10.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-1-yl-24,24-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 122464666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).