4-methyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-methyl-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C55H40N10O2S3 — CID 157187361

IUPAC4-methyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-methyl-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1cc2c(cn1)oc1cccnc12.Cc1cc2c(cn1)oc1cnccc12.Cc1cc2c(cn1)sc1cccnc12.Cc1cc2c(cn1)sc1cnccc12.Cc1cc2sc3ncccc3c2cn1
InChIInChI=1S/2C11H8N2O.3C11H8N2S/c1-7-4-9-8-2-3-12-5-10(8)14-11(9)6-13-7;1-7-5-8-10(6-13-7)14-9-3-2-4-12-11(8)9;1-7-4-9-8-2-3-12-5-10(8)14-11(9)6-13-7;1-7-5-8-10(6-13-7)14-9-3-2-4-12-11(8)9;1-7-5-10-9(6-13-7)8-3-2-4-12-11(8)14-10/h5*2-6H,1H3
InChIKeyAPGWSNAKVFKQMK-UHFFFAOYSA-N
MW969.19 g/mol
LogP14.83
Rot. Bonds

About 4-methyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-methyl-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-methyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-methyl-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 157187361) has the molecular formula C55H40N10O2S3 and a molecular weight of 969.19 g/mol. Its IUPAC name is 4-methyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-methyl-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4-methyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-methyl-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID157187361
Molecular FormulaC55H40N10O2S3
Molecular Weight969.19 g/mol
Exact Mass968.25
IUPAC Name4-methyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-methyl-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1cc2c(cn1)oc1cccnc12.Cc1cc2c(cn1)oc1cnccc12.Cc1cc2c(cn1)sc1cccnc12.Cc1cc2c(cn1)sc1cnccc12.Cc1cc2sc3ncccc3c2cn1
InChIInChI=1S/2C11H8N2O.3C11H8N2S/c1-7-4-9-8-2-3-12-5-10(8)14-11(9)6-13-7;1-7-5-8-10(6-13-7)14-9-3-2-4-12-11(8)9;1-7-4-9-8-2-3-12-5-10(8)14-11(9)6-13-7;1-7-5-8-10(6-13-7)14-9-3-2-4-12-11(8)9;1-7-5-10-9(6-13-7)8-3-2-4-12-11(8)14-10/h5*2-6H,1H3
InChIKeyAPGWSNAKVFKQMK-UHFFFAOYSA-N
XLogP14.83
TPSA155.18 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500969.19
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 4-methyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-methyl-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

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CID 167692691
8-[3-[9-([1]Benzothiolo[3,2-b]pyridin-8-yl)carbazol-3-yl]oxycarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850235
8-[4-[9-([1]Benzothiolo[3,2-b]pyridin-8-yl)carbazol-4-yl]oxycarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 89850237
8-[6-[8-([1]Benzofuro[3,2-b]pyridin-8-yl)dibenzothiophen-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
CID 90250417
8-[6-[8-([1]Benzothiolo[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine
CID 90250485
8-([1]Benzothiolo[3,2-b]pyridin-8-yl)-4-pyrido[4,3-b]indol-5-yl-[1]benzofuro[3,2-b]pyridine
CID 118517420
5-(4-Methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-7-pyridin-2-ylfuro[2,3-c]pyridine
CID 123357755
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CID 123448533
7-[2-[5-[5-(1,3-Benzothiazol-2-yl)-3-pyridinyl]-3-pyridinyl]-1,3-benzothiazol-7-yl]-2-[2-[3-(1,3-benzoxazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1,3-benzoxazole
CID 123482435
6-[2-[5-[3-[5-(1,3-Benzothiazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzothiazol-6-yl]-2-[5-[3-[5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-5-methylphenyl]-3-pyridinyl]-1,3-benzoxazole
CID 123812009
8-Carbazol-9-yl-4-(8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 130191522
4-([1]Benzothiolo[3,2-b]pyridin-3-yl)-8-carbazol-9-yl-[1]benzofuro[3,2-b]pyridine
CID 130191523

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-methyl-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4-methyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-methyl-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 157187361) is 4-methyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-methyl-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4-methyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-methyl-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4-methyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-methyl-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Cc1cc2c(cn1)oc1cccnc12.Cc1cc2c(cn1)oc1cnccc12.Cc1cc2c(cn1)sc1cccnc12.Cc1cc2c(cn1)sc1cnccc12.Cc1cc2sc3ncccc3c2cn1.
What is the InChIKey of 4-methyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-methyl-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is APGWSNAKVFKQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H8N2O.3C11H8N2S/c1-7-4-9-8-2-3-12-5-10(8)14-11(9)6-13-7;1-7-5-8-10(6-13-7)14-9-3-2-4-12-11(8)9;1-7-4-9-8-2-3-12-5-10(8)14-11(9)6-13-7;1-7-5-8-10(6-13-7)14-9-3-2-4-12-11(8)9;1-7-5-10-9(6-13-7)8-3-2-4-12-11(8)14-10/h5*2-6H,1H3.
What are the key properties of 4-methyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-methyl-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4-methyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-methyl-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 969.19 g/mol, XLogP of 14.83, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;4-methyl-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;5-methyl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12-methyl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 157187361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).