adamantane;1,3-benzodioxole;2,1,3-benzothiadiazole;1,3-benzothiazole;2H-benzotriazole;bicyclo[3.3.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.4.1]undecane;9H-carbazole;5H-chromeno[2,3-b]pyridine;10H-chromeno[3,2-b]pyridine;cycloheptene;cyclohexene;cyclooctene;cyclopenta-1,3-diene;cyclopentene;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1H-indene);2,3-dihydro-1H-isoindole;ethane;1H-indazole;1H-indole;9-methyl-9H-fluorene;quinoline;bis(1,2,3,4-tetrahydronaphthalene)

C346H546N14O8S2 — CID 160598216

IUPACadamantane;1,3-benzodioxole;2,1,3-benzothiadiazole;1,3-benzothiazole;2H-benzotriazole;bicyclo[3.3.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.4.1]undecane;9H-carbazole;5H-chromeno[2,3-b]pyridine;10H-chromeno[3,2-b]pyridine;cycloheptene;cyclohexene;cyclooctene;cyclopenta-1,3-diene;cyclopentene;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1H-indene);2,3-dihydro-1H-isoindole;ethane;1H-indazole;1H-indole;9-methyl-9H-fluorene;quinoline;bis(1,2,3,4-tetrahydronaphthalene)
SMILESC1=CCC=C1.C1=CCCC1.C1=CCCCC1.C1=CCCCCC1.C1=CCCCCCC1.C1C2CC3CC1CC(C2)C3.C1CC2CC1C2.C1CC2CCC(C1)C2.C1CC2CCC(C1)CC2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCCC(C1)C2.C1CC2CCCC(C1)CC2.C1CCC2CCCC(C1)C2.C1CCC2CCCCC(C1)C2.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1c2ccccc2-c2ccccc21.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CNC2.c1ccc2c(c1)Cc1cccnc1O2.c1ccc2c(c1)Cc1ncccc1O2.c1ccc2c(c1)OCCCO2.c1ccc2c(c1)OCCO2.c1ccc2c(c1)OCO2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2n[nH]nc2c1.c1ccc2ncccc2c1.c1ccc2nsnc2c1.c1ccc2scnc2c1
InChIInChI=1S/C14H12.2C12H9NO.C12H9N.C11H20.C10H16.C10H18.2C10H12.C10H18.C9H7N.C9H10O2.C9H16.2C9H10.C9H16.C8H9N.C8H7N.C8H8O2.3C8H14.C7H6N2.C7H5NS.C7H6O2.2C7H12.C6H5N3.C6H4N2S.2C6H10.C5H8.C5H6.32C2H6/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14;1-2-6-11-9(4-1)8-10-5-3-7-13-12(10)14-11;1-2-5-11-9(4-1)8-10-12(14-11)6-3-7-13-10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-6-11-8-4-3-7-10(5-1)9-11;1-7-2-9-4-8(1)5-10(3-7)6-9;1-3-9-5-2-6-10(4-1)8-7-9;2*1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-10-7-3-6-9(4-1)8-10;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-8(4-1)10-6-3-7-11-9;1-3-8-5-2-6-9(4-1)7-8;2*1-2-5-9-7-3-6-8(9)4-1;1-2-8-4-6-9(3-1)7-5-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-8-5-3-7(1)4-6-8;1-2-7-4-5-8(3-1)6-7;1-2-4-6-8-7-5-3-1;1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-7-6(3-1)8-5-9-7;1-2-7-4-3-6(1)5-7;1-2-4-6-7-5-3-1;2*1-2-4-6-5(3-1)7-9-8-6;1-2-6-3-5(1)4-6;1-2-4-6-5-3-1;2*1-2-4-5-3-1;32*1-2/h2-10H,1H3;2*1-7H,8H2;1-8,13H;10-11H,1-9H2;7-10H,1-6H2;9-10H,1-8H2;2*1-2,5-6H,3-4,7-8H2;9-10H,1-8H2;1-7H;1-2,4-5H,3,6-7H2;8-9H,1-7H2;2*1-2,4-5H,3,6-7H2;8-9H,1-7H2;1-4,9H,5-6H2;1-6,9H;1-4H,5-6H2;2*7-8H,1-6H2;1-2H,3-8H2;1-5H,(H,8,9);1-5H;1-4H,5H2;6-7H,1-5H2;1-2H,3-7H2;1-4H,(H,7,8,9);1-4H;5-6H,1-4H2;1-2H,3-6H2;1-2H,3-5H2;1-4H,5H2;32*1-2H3
InChIKeyRDXOKAPOZCQUOT-UHFFFAOYSA-N
MW5094.40 g/mol
LogP111.14
Rot. Bonds

About adamantane;1,3-benzodioxole;2,1,3-benzothiadiazole;1,3-benzothiazole;2H-benzotriazole;bicyclo[3.3.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.4.1]undecane;9H-carbazole;5H-chromeno[2,3-b]pyridine;10H-chromeno[3,2-b]pyridine;cycloheptene;cyclohexene;cyclooctene;cyclopenta-1,3-diene;cyclopentene;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1H-indene);2,3-dihydro-1H-isoindole;ethane;1H-indazole;1H-indole;9-methyl-9H-fluorene;quinoline;bis(1,2,3,4-tetrahydronaphthalene)

adamantane;1,3-benzodioxole;2,1,3-benzothiadiazole;1,3-benzothiazole;2H-benzotriazole;bicyclo[3.3.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.4.1]undecane;9H-carbazole;5H-chromeno[2,3-b]pyridine;10H-chromeno[3,2-b]pyridine;cycloheptene;cyclohexene;cyclooctene;cyclopenta-1,3-diene;cyclopentene;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1H-indene);2,3-dihydro-1H-isoindole;ethane;1H-indazole;1H-indole;9-methyl-9H-fluorene;quinoline;bis(1,2,3,4-tetrahydronaphthalene) (PubChem CID 160598216) has the molecular formula C346H546N14O8S2 and a molecular weight of 5094.40 g/mol. Its IUPAC name is adamantane;1,3-benzodioxole;2,1,3-benzothiadiazole;1,3-benzothiazole;2H-benzotriazole;bicyclo[3.3.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.4.1]undecane;9H-carbazole;5H-chromeno[2,3-b]pyridine;10H-chromeno[3,2-b]pyridine;cycloheptene;cyclohexene;cyclooctene;cyclopenta-1,3-diene;cyclopentene;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1H-indene);2,3-dihydro-1H-isoindole;ethane;1H-indazole;1H-indole;9-methyl-9H-fluorene;quinoline;bis(1,2,3,4-tetrahydronaphthalene).

Molecular Properties

Compound Nameadamantane;1,3-benzodioxole;2,1,3-benzothiadiazole;1,3-benzothiazole;2H-benzotriazole;bicyclo[3.3.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.4.1]undecane;9H-carbazole;5H-chromeno[2,3-b]pyridine;10H-chromeno[3,2-b]pyridine;cycloheptene;cyclohexene;cyclooctene;cyclopenta-1,3-diene;cyclopentene;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1H-indene);2,3-dihydro-1H-isoindole;ethane;1H-indazole;1H-indole;9-methyl-9H-fluorene;quinoline;bis(1,2,3,4-tetrahydronaphthalene)
PubChem CID160598216
Molecular FormulaC346H546N14O8S2
Molecular Weight5094.40 g/mol
Exact Mass5090.22
IUPAC Nameadamantane;1,3-benzodioxole;2,1,3-benzothiadiazole;1,3-benzothiazole;2H-benzotriazole;bicyclo[3.3.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.4.1]undecane;9H-carbazole;5H-chromeno[2,3-b]pyridine;10H-chromeno[3,2-b]pyridine;cycloheptene;cyclohexene;cyclooctene;cyclopenta-1,3-diene;cyclopentene;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1H-indene);2,3-dihydro-1H-isoindole;ethane;1H-indazole;1H-indole;9-methyl-9H-fluorene;quinoline;bis(1,2,3,4-tetrahydronaphthalene)
SMILESC1=CCC=C1.C1=CCCC1.C1=CCCCC1.C1=CCCCCC1.C1=CCCCCCC1.C1C2CC3CC1CC(C2)C3.C1CC2CC1C2.C1CC2CCC(C1)C2.C1CC2CCC(C1)CC2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCCC(C1)C2.C1CC2CCCC(C1)CC2.C1CCC2CCCC(C1)C2.C1CCC2CCCCC(C1)C2.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1c2ccccc2-c2ccccc21.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CNC2.c1ccc2c(c1)Cc1cccnc1O2.c1ccc2c(c1)Cc1ncccc1O2.c1ccc2c(c1)OCCCO2.c1ccc2c(c1)OCCO2.c1ccc2c(c1)OCO2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2n[nH]nc2c1.c1ccc2ncccc2c1.c1ccc2nsnc2c1.c1ccc2scnc2c1
InChIInChI=1S/C14H12.2C12H9NO.C12H9N.C11H20.C10H16.C10H18.2C10H12.C10H18.C9H7N.C9H10O2.C9H16.2C9H10.C9H16.C8H9N.C8H7N.C8H8O2.3C8H14.C7H6N2.C7H5NS.C7H6O2.2C7H12.C6H5N3.C6H4N2S.2C6H10.C5H8.C5H6.32C2H6/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14;1-2-6-11-9(4-1)8-10-5-3-7-13-12(10)14-11;1-2-5-11-9(4-1)8-10-12(14-11)6-3-7-13-10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-6-11-8-4-3-7-10(5-1)9-11;1-7-2-9-4-8(1)5-10(3-7)6-9;1-3-9-5-2-6-10(4-1)8-7-9;2*1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-10-7-3-6-9(4-1)8-10;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-8(4-1)10-6-3-7-11-9;1-3-8-5-2-6-9(4-1)7-8;2*1-2-5-9-7-3-6-8(9)4-1;1-2-8-4-6-9(3-1)7-5-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-8-5-3-7(1)4-6-8;1-2-7-4-5-8(3-1)6-7;1-2-4-6-8-7-5-3-1;1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-7-6(3-1)8-5-9-7;1-2-7-4-3-6(1)5-7;1-2-4-6-7-5-3-1;2*1-2-4-6-5(3-1)7-9-8-6;1-2-6-3-5(1)4-6;1-2-4-6-5-3-1;2*1-2-4-5-3-1;32*1-2/h2-10H,1H3;2*1-7H,8H2;1-8,13H;10-11H,1-9H2;7-10H,1-6H2;9-10H,1-8H2;2*1-2,5-6H,3-4,7-8H2;9-10H,1-8H2;1-7H;1-2,4-5H,3,6-7H2;8-9H,1-7H2;2*1-2,4-5H,3,6-7H2;8-9H,1-7H2;1-4,9H,5-6H2;1-6,9H;1-4H,5-6H2;2*7-8H,1-6H2;1-2H,3-8H2;1-5H,(H,8,9);1-5H;1-4H,5H2;6-7H,1-5H2;1-2H,3-7H2;1-4H,(H,7,8,9);1-4H;5-6H,1-4H2;1-2H,3-6H2;1-2H,3-5H2;1-4H,5H2;32*1-2H3
InChIKeyRDXOKAPOZCQUOT-UHFFFAOYSA-N
XLogP111.14
TPSA265.04 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms370
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005094.40
LogP ≤ 5111.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze adamantane;1,3-benzodioxole;2,1,3-benzothiadiazole;1,3-benzothiazole;2H-benzotriazole;bicyclo[3.3.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.4.1]undecane;9H-carbazole;5H-chromeno[2,3-b]pyridine;10H-chromeno[3,2-b]pyridine;cycloheptene;cyclohexene;cyclooctene;cyclopenta-1,3-diene;cyclopentene;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1H-indene);2,3-dihydro-1H-isoindole;ethane;1H-indazole;1H-indole;9-methyl-9H-fluorene;quinoline;bis(1,2,3,4-tetrahydronaphthalene) with MolForge

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Related Compounds

adamantane;1,3-benzodioxole;2,1,3-benzothiadiazole;1,3-benzothiazole;2H-benzotriazole;bicyclo[3.3.2]decane;bicyclo[4.3.1]decane;bis(bicyclo[2.2.1]heptane);bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.4.1]undecane;9H-carbazole;5H-chromeno[2,3-b]pyridine;cycloheptene;cyclohexene;cyclooctene;cyclopenta-1,3-diene;cyclopentene;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1H-indene);2,3-dihydro-1H-isoindole;ethane;1H-indazole;1H-indole;9-methyl-9H-fluorene;quinoline;bis(1,2,3,4-tetrahydronaphthalene)
CID 158982517
adamantane;1,3-benzodioxole;2,1,3-benzothiadiazole;1,3-benzothiazole;2H-benzotriazole;bicyclo[3.3.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.4.1]undecane;9H-carbazole;5H-chromeno[2,3-b]pyridine;cycloheptene;cyclohexene;cyclooctene;cyclopenta-1,3-diene;cyclopentene;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1H-indene);2,3-dihydro-1H-isoindole;ethane;1H-indazole;1H-indole;9-methyl-9H-fluorene;quinoline;bis(1,2,3,4-tetrahydronaphthalene)
CID 160669197

Frequently Asked Questions

What is the IUPAC name of adamantane;1,3-benzodioxole;2,1,3-benzothiadiazole;1,3-benzothiazole;2H-benzotriazole;bicyclo[3.3.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.4.1]undecane;9H-carbazole;5H-chromeno[2,3-b]pyridine;10H-chromeno[3,2-b]pyridine;cycloheptene;cyclohexene;cyclooctene;cyclopenta-1,3-diene;cyclopentene;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1H-indene);2,3-dihydro-1H-isoindole;ethane;1H-indazole;1H-indole;9-methyl-9H-fluorene;quinoline;bis(1,2,3,4-tetrahydronaphthalene)?
The IUPAC name of adamantane;1,3-benzodioxole;2,1,3-benzothiadiazole;1,3-benzothiazole;2H-benzotriazole;bicyclo[3.3.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.4.1]undecane;9H-carbazole;5H-chromeno[2,3-b]pyridine;10H-chromeno[3,2-b]pyridine;cycloheptene;cyclohexene;cyclooctene;cyclopenta-1,3-diene;cyclopentene;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1H-indene);2,3-dihydro-1H-isoindole;ethane;1H-indazole;1H-indole;9-methyl-9H-fluorene;quinoline;bis(1,2,3,4-tetrahydronaphthalene) (CID 160598216) is adamantane;1,3-benzodioxole;2,1,3-benzothiadiazole;1,3-benzothiazole;2H-benzotriazole;bicyclo[3.3.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.4.1]undecane;9H-carbazole;5H-chromeno[2,3-b]pyridine;10H-chromeno[3,2-b]pyridine;cycloheptene;cyclohexene;cyclooctene;cyclopenta-1,3-diene;cyclopentene;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1H-indene);2,3-dihydro-1H-isoindole;ethane;1H-indazole;1H-indole;9-methyl-9H-fluorene;quinoline;bis(1,2,3,4-tetrahydronaphthalene).
What is the SMILES notation for adamantane;1,3-benzodioxole;2,1,3-benzothiadiazole;1,3-benzothiazole;2H-benzotriazole;bicyclo[3.3.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.4.1]undecane;9H-carbazole;5H-chromeno[2,3-b]pyridine;10H-chromeno[3,2-b]pyridine;cycloheptene;cyclohexene;cyclooctene;cyclopenta-1,3-diene;cyclopentene;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1H-indene);2,3-dihydro-1H-isoindole;ethane;1H-indazole;1H-indole;9-methyl-9H-fluorene;quinoline;bis(1,2,3,4-tetrahydronaphthalene)?
The canonical SMILES for adamantane;1,3-benzodioxole;2,1,3-benzothiadiazole;1,3-benzothiazole;2H-benzotriazole;bicyclo[3.3.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.4.1]undecane;9H-carbazole;5H-chromeno[2,3-b]pyridine;10H-chromeno[3,2-b]pyridine;cycloheptene;cyclohexene;cyclooctene;cyclopenta-1,3-diene;cyclopentene;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1H-indene);2,3-dihydro-1H-isoindole;ethane;1H-indazole;1H-indole;9-methyl-9H-fluorene;quinoline;bis(1,2,3,4-tetrahydronaphthalene) is C1=CCC=C1.C1=CCCC1.C1=CCCCC1.C1=CCCCCC1.C1=CCCCCCC1.C1C2CC3CC1CC(C2)C3.C1CC2CC1C2.C1CC2CCC(C1)C2.C1CC2CCC(C1)CC2.C1CC2CCC1C2.C1CC2CCC1CC2.C1CC2CCCC(C1)C2.C1CC2CCCC(C1)CC2.C1CCC2CCCC(C1)C2.C1CCC2CCCCC(C1)C2.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1c2ccccc2-c2ccccc21.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CNC2.c1ccc2c(c1)Cc1cccnc1O2.c1ccc2c(c1)Cc1ncccc1O2.c1ccc2c(c1)OCCCO2.c1ccc2c(c1)OCCO2.c1ccc2c(c1)OCO2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2n[nH]nc2c1.c1ccc2ncccc2c1.c1ccc2nsnc2c1.c1ccc2scnc2c1.
What is the InChIKey of adamantane;1,3-benzodioxole;2,1,3-benzothiadiazole;1,3-benzothiazole;2H-benzotriazole;bicyclo[3.3.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.4.1]undecane;9H-carbazole;5H-chromeno[2,3-b]pyridine;10H-chromeno[3,2-b]pyridine;cycloheptene;cyclohexene;cyclooctene;cyclopenta-1,3-diene;cyclopentene;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1H-indene);2,3-dihydro-1H-isoindole;ethane;1H-indazole;1H-indole;9-methyl-9H-fluorene;quinoline;bis(1,2,3,4-tetrahydronaphthalene)?
The InChIKey is RDXOKAPOZCQUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.2C12H9NO.C12H9N.C11H20.C10H16.C10H18.2C10H12.C10H18.C9H7N.C9H10O2.C9H16.2C9H10.C9H16.C8H9N.C8H7N.C8H8O2.3C8H14.C7H6N2.C7H5NS.C7H6O2.2C7H12.C6H5N3.C6H4N2S.2C6H10.C5H8.C5H6.32C2H6/c1-10-11-6-2-4-8-13(11)14-9-5-3-7-12(10)14;1-2-6-11-9(4-1)8-10-5-3-7-13-12(10)14-11;1-2-5-11-9(4-1)8-10-12(14-11)6-3-7-13-10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-6-11-8-4-3-7-10(5-1)9-11;1-7-2-9-4-8(1)5-10(3-7)6-9;1-3-9-5-2-6-10(4-1)8-7-9;2*1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-10-7-3-6-9(4-1)8-10;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-8(4-1)10-6-3-7-11-9;1-3-8-5-2-6-9(4-1)7-8;2*1-2-5-9-7-3-6-8(9)4-1;1-2-8-4-6-9(3-1)7-5-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-8-5-3-7(1)4-6-8;1-2-7-4-5-8(3-1)6-7;1-2-4-6-8-7-5-3-1;1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-7-6(3-1)8-5-9-7;1-2-7-4-3-6(1)5-7;1-2-4-6-7-5-3-1;2*1-2-4-6-5(3-1)7-9-8-6;1-2-6-3-5(1)4-6;1-2-4-6-5-3-1;2*1-2-4-5-3-1;32*1-2/h2-10H,1H3;2*1-7H,8H2;1-8,13H;10-11H,1-9H2;7-10H,1-6H2;9-10H,1-8H2;2*1-2,5-6H,3-4,7-8H2;9-10H,1-8H2;1-7H;1-2,4-5H,3,6-7H2;8-9H,1-7H2;2*1-2,4-5H,3,6-7H2;8-9H,1-7H2;1-4,9H,5-6H2;1-6,9H;1-4H,5-6H2;2*7-8H,1-6H2;1-2H,3-8H2;1-5H,(H,8,9);1-5H;1-4H,5H2;6-7H,1-5H2;1-2H,3-7H2;1-4H,(H,7,8,9);1-4H;5-6H,1-4H2;1-2H,3-6H2;1-2H,3-5H2;1-4H,5H2;32*1-2H3.
What are the key properties of adamantane;1,3-benzodioxole;2,1,3-benzothiadiazole;1,3-benzothiazole;2H-benzotriazole;bicyclo[3.3.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.4.1]undecane;9H-carbazole;5H-chromeno[2,3-b]pyridine;10H-chromeno[3,2-b]pyridine;cycloheptene;cyclohexene;cyclooctene;cyclopenta-1,3-diene;cyclopentene;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1H-indene);2,3-dihydro-1H-isoindole;ethane;1H-indazole;1H-indole;9-methyl-9H-fluorene;quinoline;bis(1,2,3,4-tetrahydronaphthalene)?
adamantane;1,3-benzodioxole;2,1,3-benzothiadiazole;1,3-benzothiazole;2H-benzotriazole;bicyclo[3.3.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.4.1]undecane;9H-carbazole;5H-chromeno[2,3-b]pyridine;10H-chromeno[3,2-b]pyridine;cycloheptene;cyclohexene;cyclooctene;cyclopenta-1,3-diene;cyclopentene;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1H-indene);2,3-dihydro-1H-isoindole;ethane;1H-indazole;1H-indole;9-methyl-9H-fluorene;quinoline;bis(1,2,3,4-tetrahydronaphthalene) has a molecular weight of 5094.40 g/mol, XLogP of 111.14, 0 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;1,3-benzodioxole;2,1,3-benzothiadiazole;1,3-benzothiazole;2H-benzotriazole;bicyclo[3.3.2]decane;bicyclo[4.3.1]decane;bicyclo[2.2.1]heptane;bicyclo[2.1.1]hexane;bicyclo[3.2.2]nonane;bicyclo[3.3.1]nonane;bicyclo[2.2.2]octane;bicyclo[3.2.1]octane;bicyclo[4.4.1]undecane;9H-carbazole;5H-chromeno[2,3-b]pyridine;10H-chromeno[3,2-b]pyridine;cycloheptene;cyclohexene;cyclooctene;cyclopenta-1,3-diene;cyclopentene;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;bis(2,3-dihydro-1H-indene);2,3-dihydro-1H-isoindole;ethane;1H-indazole;1H-indole;9-methyl-9H-fluorene;quinoline;bis(1,2,3,4-tetrahydronaphthalene) is sourced from PubChem (CID 160598216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).