12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide

C27H19N3O2S — CID 122486655

IUPAC12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide
SMILESCCc1nc2c(-n3c4ccccc4c4ccccc43)ccc3c2n1-c1ccccc1S3(=O)=O
InChIInChI=1S/C27H19N3O2S/c1-2-25-28-26-22(29-19-11-5-3-9-17(19)18-10-4-6-12-20(18)29)15-16-24-27(26)30(25)21-13-7-8-14-23(21)33(24,31)32/h3-16H,2H2,1H3
InChIKeyPXKBVILPVPIZDO-UHFFFAOYSA-N
MW449.54 g/mol
LogP5.83
Rot. Bonds2

About 12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide

12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide (PubChem CID 122486655) has the molecular formula C27H19N3O2S and a molecular weight of 449.54 g/mol. Its IUPAC name is 12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide.

Molecular Properties

Compound Name12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide
PubChem CID122486655
Molecular FormulaC27H19N3O2S
Molecular Weight449.54 g/mol
Exact Mass449.12
IUPAC Name12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide
SMILESCCc1nc2c(-n3c4ccccc4c4ccccc43)ccc3c2n1-c1ccccc1S3(=O)=O
InChIInChI=1S/C27H19N3O2S/c1-2-25-28-26-22(29-19-11-5-3-9-17(19)18-10-4-6-12-20(18)29)15-16-24-27(26)30(25)21-13-7-8-14-23(21)33(24,31)32/h3-16H,2H2,1H3
InChIKeyPXKBVILPVPIZDO-UHFFFAOYSA-N
XLogP5.83
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.54
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide with MolForge

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Related Compounds

15-ethyl-11-pyridin-4-yl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide
CID 122486626
11-(3,5-dinaphthalen-2-ylphenyl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide
CID 122486632
12-(3,5-diphenylphenyl)-15-methyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide
CID 122486640
10-(3,5-diphenyl-1,3,5-triazine-1,3,5-triium-1-yl)-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide
CID 154612700
2,8-bis(2-carbazol-9-ylphenyl)dibenzothiophene 5,5-dioxide
CID 135252120
9-ethyl-12-methyl-8,10-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaene
CID 122427041
7-[10-(15-ethyl-8,8-dioxo-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-4-yl)anthracen-9-yl]-9,9-dimethylfluorene-2-carbonitrile
CID 122486532
5-carbazol-9-yl-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469284
9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
15-ethyl-3-(10-pyridin-3-ylanthracen-9-yl)-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8,8-dioxide
CID 122486583
CID 160614741
CID 160614741
5-(4-carbazol-9-ylphenyl)-15-ethyl-8-oxa-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122469254

Frequently Asked Questions

What is the IUPAC name of 12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide?
The IUPAC name of 12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide (CID 122486655) is 12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide.
What is the SMILES notation for 12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide?
The canonical SMILES for 12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide is CCc1nc2c(-n3c4ccccc4c4ccccc43)ccc3c2n1-c1ccccc1S3(=O)=O.
What is the InChIKey of 12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide?
The InChIKey is PXKBVILPVPIZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3O2S/c1-2-25-28-26-22(29-19-11-5-3-9-17(19)18-10-4-6-12-20(18)29)15-16-24-27(26)30(25)21-13-7-8-14-23(21)33(24,31)32/h3-16H,2H2,1H3.
What are the key properties of 12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide?
12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide has a molecular weight of 449.54 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-carbazol-9-yl-15-ethyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene 8,8-dioxide is sourced from PubChem (CID 122486655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).