6,16-dimethyl-11-oxa-7,15-diselenapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene

C18H12OSe2 — CID 147622675

IUPAC6,16-dimethyl-11-oxa-7,15-diselenapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
SMILESCc1cc2cc3c(cc2[se]1)oc1cc2[se]c(C)cc2cc13
InChIInChI=1S/C18H12OSe2/c1-9-3-11-5-13-14-6-12-4-10(2)21-18(12)8-16(14)19-15(13)7-17(11)20-9/h3-8H,1-2H3
InChIKeyGEEGJKSTDMCMHM-UHFFFAOYSA-N
MW402.21 g/mol
LogP4.62
Rot. Bonds

About 6,16-dimethyl-11-oxa-7,15-diselenapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene

6,16-dimethyl-11-oxa-7,15-diselenapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene (PubChem CID 147622675) has the molecular formula C18H12OSe2 and a molecular weight of 402.21 g/mol. Its IUPAC name is 6,16-dimethyl-11-oxa-7,15-diselenapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene.

Molecular Properties

Compound Name6,16-dimethyl-11-oxa-7,15-diselenapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
PubChem CID147622675
Molecular FormulaC18H12OSe2
Molecular Weight402.21 g/mol
Exact Mass403.92
IUPAC Name6,16-dimethyl-11-oxa-7,15-diselenapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
SMILESCc1cc2cc3c(cc2[se]1)oc1cc2[se]c(C)cc2cc13
InChIInChI=1S/C18H12OSe2/c1-9-3-11-5-13-14-6-12-4-10(2)21-18(12)8-16(14)19-15(13)7-17(11)20-9/h3-8H,1-2H3
InChIKeyGEEGJKSTDMCMHM-UHFFFAOYSA-N
XLogP4.62
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.21
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6,16-dimethyl-11-oxa-7,15-diselenapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene with MolForge

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Related Compounds

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CID 140822028
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
8,22-diethyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene
CID 118153192
9-N,9-N,23-N,23-N-tetrakis(4-methylphenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.021,26]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-9,23-diamine
CID 146497288
7-N,7-N,17-N,17-N-tetrakis(3,4,5-trimethylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 146497116
7,19-bis(3-methyl-10-phenylanthracen-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene
CID 153303329
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
19,20-dimethyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 154959627
14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,22-diol
CID 144582613
2-methyl-4-[16-(2-methyl-4-pyridinyl)-7,11,15-trioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaen-6-yl]pyridine
CID 139320427
7-cyclopenta-1,3-dien-1-yl-17-methyl-6-thia-16-selenapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1,3,5(9),7,10,12,14,17,19-nonaene
CID 166512601
7-cyclopenta-1,3-dien-1-yl-2-methyl-[1]benzotellurolo[5,6-f][1]benzoselenole
CID 166512608

Frequently Asked Questions

What is the IUPAC name of 6,16-dimethyl-11-oxa-7,15-diselenapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene?
The IUPAC name of 6,16-dimethyl-11-oxa-7,15-diselenapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene (CID 147622675) is 6,16-dimethyl-11-oxa-7,15-diselenapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene.
What is the SMILES notation for 6,16-dimethyl-11-oxa-7,15-diselenapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene?
The canonical SMILES for 6,16-dimethyl-11-oxa-7,15-diselenapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene is Cc1cc2cc3c(cc2[se]1)oc1cc2[se]c(C)cc2cc13.
What is the InChIKey of 6,16-dimethyl-11-oxa-7,15-diselenapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene?
The InChIKey is GEEGJKSTDMCMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12OSe2/c1-9-3-11-5-13-14-6-12-4-10(2)21-18(12)8-16(14)19-15(13)7-17(11)20-9/h3-8H,1-2H3.
What are the key properties of 6,16-dimethyl-11-oxa-7,15-diselenapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene?
6,16-dimethyl-11-oxa-7,15-diselenapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene has a molecular weight of 402.21 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,16-dimethyl-11-oxa-7,15-diselenapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene is sourced from PubChem (CID 147622675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).