1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;bicyclo[4.1.0]hepta-1,3,5-triene;bicyclo[4.2.0]octa-1,3,5-triene;2,3-dihydro-1H-cyclopenta[b]naphthalene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[c]furan;6,7-dihydro-5H-cyclopenta[c]pyridazine;5,6-dihydro-4H-cyclopenta[c]thiophene;6,7-dihydro-5H-cyclopenta[d]pyridazine;2,3-dihydro-1H-indene;(2,2-dimethylpropane);bis(5,6,7,8,9,10-hexahydrobenzo[8]annulene);spiro[1,3-dihydroindene-2,1'-cyclopentane];spiro[1,2-dihydroindene-3,1'-cyclopropane];6,7,8,9-tetrahydro-5H-benzo[7]annulene;4,5,6,7-tetrahydro-1-benzofuran;4,5,6,7-tetrahydro-1-benzothiophene;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydrophthalazine;5,6,7,8-tetrahydroquinazoline;tricyclo[8.2.2.03,8]tetradeca-3,5,7-triene;tricyclo[6.2.1.02,7]undeca-2,4,6-triene;tricyclo[7.1.1.02,7]undeca-2,4,6-triene

C352H560N10O2S2 — CID 157262803

IUPAC1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;bicyclo[4.1.0]hepta-1,3,5-triene;bicyclo[4.2.0]octa-1,3,5-triene;2,3-dihydro-1H-cyclopenta[b]naphthalene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[c]furan;6,7-dihydro-5H-cyclopenta[c]pyridazine;5,6-dihydro-4H-cyclopenta[c]thiophene;6,7-dihydro-5H-cyclopenta[d]pyridazine;2,3-dihydro-1H-indene;(2,2-dimethylpropane);bis(5,6,7,8,9,10-hexahydrobenzo[8]annulene);spiro[1,3-dihydroindene-2,1'-cyclopentane];spiro[1,2-dihydroindene-3,1'-cyclopropane];6,7,8,9-tetrahydro-5H-benzo[7]annulene;4,5,6,7-tetrahydro-1-benzofuran;4,5,6,7-tetrahydro-1-benzothiophene;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydrophthalazine;5,6,7,8-tetrahydroquinazoline;tricyclo[8.2.2.03,8]tetradeca-3,5,7-triene;tricyclo[6.2.1.02,7]undeca-2,4,6-triene;tricyclo[7.1.1.02,7]undeca-2,4,6-triene
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1cc2c(cn1)CCCCC2.c1cc2c(nn1)CCC2.c1cc2c(o1)CCCC2.c1cc2c(s1)CCCC2.c1ccc2c(c1)C1CCC2C1.c1ccc2c(c1)C2.c1ccc2c(c1)CC1(CCCC1)C2.c1ccc2c(c1)CC1CC2C1.c1ccc2c(c1)CC1CCC(CC1)C2.c1ccc2c(c1)CC1CCCC21.c1ccc2c(c1)CC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC21CC1.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCCC2.c1ccc2c(c1)CCCCCC2.c1ccc2c(c1)CCCCCC2.c1ccc2cc3c(cc2c1)CCC3.c1cnc2c(c1)CCC2.c1ncc2c(n1)CCCC2.c1nncc2c1CCC2.c1nncc2c1CCCC2.c1occ2c1CCC2.c1scc2c1CCC2
InChIInChI=1S/C14H18.C13H16.C13H12.C12H14.2C12H16.3C11H12.C11H14.C10H13N.C10H12.C9H10.2C8H10N2.C8H9N.C8H10O.C8H10S.C8H8.2C7H8N2.C7H8O.C7H8S.C7H6.24C5H12/c1-2-4-14-10-12-7-5-11(6-8-12)9-13(14)3-1;1-2-6-12-10-13(7-3-4-8-13)9-11(12)5-1;1-2-5-11-9-13-7-3-6-12(13)8-10(11)4-1;1-2-6-11-9(4-1)8-10-5-3-7-12(10)11;2*1-2-4-8-12-10-6-5-9-11(12)7-3-1;1-2-4-11-9(3-1)5-8-6-10(11)7-8;1-2-4-10-9(3-1)5-6-11(10)7-8-11;1-2-4-11-9-6-5-8(7-9)10(11)3-1;1-2-6-10-8-4-5-9-11(10)7-3-1;1-2-4-9-6-7-11-8-10(9)5-3-1;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-3-7-4-2-6-9-8(7)5-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-5-7(8)3-1;1-2-6-4-8-9-5-7(6)3-1;1-2-6-4-5-8-9-7(6)3-1;2*1-2-6-4-8-5-7(6)3-1;1-2-4-7-5-6(7)3-1;24*1-5(2,3)4/h1-4,11-12H,5-10H2;1-2,5-6H,3-4,7-10H2;1-2,4-5,8-9H,3,6-7H2;1-2,4,6,10,12H,3,5,7-8H2;2*5-6,9-10H,1-4,7-8H2;1-4,8,10H,5-7H2;1-4H,5-8H2;1-4,8-9H,5-7H2;4-5,8-9H,1-3,6-7H2;6-8H,1-5H2;1-2,5-6H,3-4,7-8H2;1-2,4-5H,3,6-7H2;2*5-6H,1-4H2;2,4,6H,1,3,5H2;2*5-6H,1-4H2;1-4H,5-6H2;2*4-5H,1-3H2;2*4-5H,1-3H2;1-4H,5H2;24*1-4H3
InChIKeyAXQSMVFHJAJWBI-UHFFFAOYSA-N
MW5028.55 g/mol
LogP106.22
Rot. Bonds

About 1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;bicyclo[4.1.0]hepta-1,3,5-triene;bicyclo[4.2.0]octa-1,3,5-triene;2,3-dihydro-1H-cyclopenta[b]naphthalene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[c]furan;6,7-dihydro-5H-cyclopenta[c]pyridazine;5,6-dihydro-4H-cyclopenta[c]thiophene;6,7-dihydro-5H-cyclopenta[d]pyridazine;2,3-dihydro-1H-indene;(2,2-dimethylpropane);bis(5,6,7,8,9,10-hexahydrobenzo[8]annulene);spiro[1,3-dihydroindene-2,1'-cyclopentane];spiro[1,2-dihydroindene-3,1'-cyclopropane];6,7,8,9-tetrahydro-5H-benzo[7]annulene;4,5,6,7-tetrahydro-1-benzofuran;4,5,6,7-tetrahydro-1-benzothiophene;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydrophthalazine;5,6,7,8-tetrahydroquinazoline;tricyclo[8.2.2.03,8]tetradeca-3,5,7-triene;tricyclo[6.2.1.02,7]undeca-2,4,6-triene;tricyclo[7.1.1.02,7]undeca-2,4,6-triene

1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;bicyclo[4.1.0]hepta-1,3,5-triene;bicyclo[4.2.0]octa-1,3,5-triene;2,3-dihydro-1H-cyclopenta[b]naphthalene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[c]furan;6,7-dihydro-5H-cyclopenta[c]pyridazine;5,6-dihydro-4H-cyclopenta[c]thiophene;6,7-dihydro-5H-cyclopenta[d]pyridazine;2,3-dihydro-1H-indene;(2,2-dimethylpropane);bis(5,6,7,8,9,10-hexahydrobenzo[8]annulene);spiro[1,3-dihydroindene-2,1'-cyclopentane];spiro[1,2-dihydroindene-3,1'-cyclopropane];6,7,8,9-tetrahydro-5H-benzo[7]annulene;4,5,6,7-tetrahydro-1-benzofuran;4,5,6,7-tetrahydro-1-benzothiophene;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydrophthalazine;5,6,7,8-tetrahydroquinazoline;tricyclo[8.2.2.03,8]tetradeca-3,5,7-triene;tricyclo[6.2.1.02,7]undeca-2,4,6-triene;tricyclo[7.1.1.02,7]undeca-2,4,6-triene (PubChem CID 157262803) has the molecular formula C352H560N10O2S2 and a molecular weight of 5028.55 g/mol. Its IUPAC name is 1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;bicyclo[4.1.0]hepta-1,3,5-triene;bicyclo[4.2.0]octa-1,3,5-triene;2,3-dihydro-1H-cyclopenta[b]naphthalene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[c]furan;6,7-dihydro-5H-cyclopenta[c]pyridazine;5,6-dihydro-4H-cyclopenta[c]thiophene;6,7-dihydro-5H-cyclopenta[d]pyridazine;2,3-dihydro-1H-indene;(2,2-dimethylpropane);bis(5,6,7,8,9,10-hexahydrobenzo[8]annulene);spiro[1,3-dihydroindene-2,1'-cyclopentane];spiro[1,2-dihydroindene-3,1'-cyclopropane];6,7,8,9-tetrahydro-5H-benzo[7]annulene;4,5,6,7-tetrahydro-1-benzofuran;4,5,6,7-tetrahydro-1-benzothiophene;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydrophthalazine;5,6,7,8-tetrahydroquinazoline;tricyclo[8.2.2.03,8]tetradeca-3,5,7-triene;tricyclo[6.2.1.02,7]undeca-2,4,6-triene;tricyclo[7.1.1.02,7]undeca-2,4,6-triene.

Molecular Properties

Compound Name1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;bicyclo[4.1.0]hepta-1,3,5-triene;bicyclo[4.2.0]octa-1,3,5-triene;2,3-dihydro-1H-cyclopenta[b]naphthalene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[c]furan;6,7-dihydro-5H-cyclopenta[c]pyridazine;5,6-dihydro-4H-cyclopenta[c]thiophene;6,7-dihydro-5H-cyclopenta[d]pyridazine;2,3-dihydro-1H-indene;(2,2-dimethylpropane);bis(5,6,7,8,9,10-hexahydrobenzo[8]annulene);spiro[1,3-dihydroindene-2,1'-cyclopentane];spiro[1,2-dihydroindene-3,1'-cyclopropane];6,7,8,9-tetrahydro-5H-benzo[7]annulene;4,5,6,7-tetrahydro-1-benzofuran;4,5,6,7-tetrahydro-1-benzothiophene;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydrophthalazine;5,6,7,8-tetrahydroquinazoline;tricyclo[8.2.2.03,8]tetradeca-3,5,7-triene;tricyclo[6.2.1.02,7]undeca-2,4,6-triene;tricyclo[7.1.1.02,7]undeca-2,4,6-triene
PubChem CID157262803
Molecular FormulaC352H560N10O2S2
Molecular Weight5028.55 g/mol
Exact Mass5024.35
IUPAC Name1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;bicyclo[4.1.0]hepta-1,3,5-triene;bicyclo[4.2.0]octa-1,3,5-triene;2,3-dihydro-1H-cyclopenta[b]naphthalene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[c]furan;6,7-dihydro-5H-cyclopenta[c]pyridazine;5,6-dihydro-4H-cyclopenta[c]thiophene;6,7-dihydro-5H-cyclopenta[d]pyridazine;2,3-dihydro-1H-indene;(2,2-dimethylpropane);bis(5,6,7,8,9,10-hexahydrobenzo[8]annulene);spiro[1,3-dihydroindene-2,1'-cyclopentane];spiro[1,2-dihydroindene-3,1'-cyclopropane];6,7,8,9-tetrahydro-5H-benzo[7]annulene;4,5,6,7-tetrahydro-1-benzofuran;4,5,6,7-tetrahydro-1-benzothiophene;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydrophthalazine;5,6,7,8-tetrahydroquinazoline;tricyclo[8.2.2.03,8]tetradeca-3,5,7-triene;tricyclo[6.2.1.02,7]undeca-2,4,6-triene;tricyclo[7.1.1.02,7]undeca-2,4,6-triene
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1cc2c(cn1)CCCCC2.c1cc2c(nn1)CCC2.c1cc2c(o1)CCCC2.c1cc2c(s1)CCCC2.c1ccc2c(c1)C1CCC2C1.c1ccc2c(c1)C2.c1ccc2c(c1)CC1(CCCC1)C2.c1ccc2c(c1)CC1CC2C1.c1ccc2c(c1)CC1CCC(CC1)C2.c1ccc2c(c1)CC1CCCC21.c1ccc2c(c1)CC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC21CC1.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCCC2.c1ccc2c(c1)CCCCCC2.c1ccc2c(c1)CCCCCC2.c1ccc2cc3c(cc2c1)CCC3.c1cnc2c(c1)CCC2.c1ncc2c(n1)CCCC2.c1nncc2c1CCC2.c1nncc2c1CCCC2.c1occ2c1CCC2.c1scc2c1CCC2
InChIInChI=1S/C14H18.C13H16.C13H12.C12H14.2C12H16.3C11H12.C11H14.C10H13N.C10H12.C9H10.2C8H10N2.C8H9N.C8H10O.C8H10S.C8H8.2C7H8N2.C7H8O.C7H8S.C7H6.24C5H12/c1-2-4-14-10-12-7-5-11(6-8-12)9-13(14)3-1;1-2-6-12-10-13(7-3-4-8-13)9-11(12)5-1;1-2-5-11-9-13-7-3-6-12(13)8-10(11)4-1;1-2-6-11-9(4-1)8-10-5-3-7-12(10)11;2*1-2-4-8-12-10-6-5-9-11(12)7-3-1;1-2-4-11-9(3-1)5-8-6-10(11)7-8;1-2-4-10-9(3-1)5-6-11(10)7-8-11;1-2-4-11-9-6-5-8(7-9)10(11)3-1;1-2-6-10-8-4-5-9-11(10)7-3-1;1-2-4-9-6-7-11-8-10(9)5-3-1;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-3-7-4-2-6-9-8(7)5-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-5-7(8)3-1;1-2-6-4-8-9-5-7(6)3-1;1-2-6-4-5-8-9-7(6)3-1;2*1-2-6-4-8-5-7(6)3-1;1-2-4-7-5-6(7)3-1;24*1-5(2,3)4/h1-4,11-12H,5-10H2;1-2,5-6H,3-4,7-10H2;1-2,4-5,8-9H,3,6-7H2;1-2,4,6,10,12H,3,5,7-8H2;2*5-6,9-10H,1-4,7-8H2;1-4,8,10H,5-7H2;1-4H,5-8H2;1-4,8-9H,5-7H2;4-5,8-9H,1-3,6-7H2;6-8H,1-5H2;1-2,5-6H,3-4,7-8H2;1-2,4-5H,3,6-7H2;2*5-6H,1-4H2;2,4,6H,1,3,5H2;2*5-6H,1-4H2;1-4H,5-6H2;2*4-5H,1-3H2;2*4-5H,1-3H2;1-4H,5H2;24*1-4H3
InChIKeyAXQSMVFHJAJWBI-UHFFFAOYSA-N
XLogP106.22
TPSA155.18 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms366
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005028.55
LogP ≤ 5106.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;bicyclo[4.1.0]hepta-1,3,5-triene;bicyclo[4.2.0]octa-1,3,5-triene;2,3-dihydro-1H-cyclopenta[b]naphthalene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[c]furan;6,7-dihydro-5H-cyclopenta[c]pyridazine;5,6-dihydro-4H-cyclopenta[c]thiophene;6,7-dihydro-5H-cyclopenta[d]pyridazine;2,3-dihydro-1H-indene;(2,2-dimethylpropane);bis(5,6,7,8,9,10-hexahydrobenzo[8]annulene);spiro[1,3-dihydroindene-2,1'-cyclopentane];spiro[1,2-dihydroindene-3,1'-cyclopropane];6,7,8,9-tetrahydro-5H-benzo[7]annulene;4,5,6,7-tetrahydro-1-benzofuran;4,5,6,7-tetrahydro-1-benzothiophene;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydrophthalazine;5,6,7,8-tetrahydroquinazoline;tricyclo[8.2.2.03,8]tetradeca-3,5,7-triene;tricyclo[6.2.1.02,7]undeca-2,4,6-triene;tricyclo[7.1.1.02,7]undeca-2,4,6-triene with MolForge

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Related Compounds

2-[3,14-Bis(3,5-ditert-butylphenyl)-28-pyridin-2-yl-21-nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(32),2,4,6,8,10,12,14,16(33),17,19(34),20,22,24,26,28,30-heptadecaenyl]pyridine;2-[3,14-bis(3-phenylphenyl)-28-thiophen-2-yl-21-nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(33),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30(34),31-heptadecaenyl]-1-benzofuran;4-[21-(3-phenyl-2-pyridinyl)-28-(3-pyridin-2-yl-2-pyridinyl)-14-(5-pyridin-2-ylpyrimidin-4-yl)-3-nonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1(32),2,4,6,8,10,12,14,16(33),17,19(34),20,22,24,26,28,30-heptadecaenyl]-5-pyridin-2-ylpyrimidine
CID 157225929
3,3a,4,8b-tetrahydrocyclopenta[a]indene;1H-cyclopenta[b]naphthalene;5H-cyclopenta[b]pyridine;6H-cyclopenta[c]furan;7H-cyclopenta[c]pyridazine;6H-cyclopenta[c]thiophene;7H-cyclopenta[d]pyridazine;6H-cyclopenta[g]quinoline;(6Z)-5,8-dihydrobenzo[8]annulene;8,9-dihydro-7H-benzo[7]annulene;4,7-dihydro-2-benzofuran;6,7-dihydro-1-benzofuran;4,7-dihydro-1-benzothiophene;8,9-dihydro-5H-cyclohepta[c]pyridine;1,4-dihydronaphthalene;1,4-dihydrophenanthrene;5,6-dihydrophthalazine;5,6-dihydroquinazoline;(2,2-dimethylpropane);1H-indene;spiro[cyclopropane-1,1'-indene];spiro[1,3-dihydroindene-2,4'-cyclopentene];(7Z)-5,6,9,10-tetrahydrobenzo[8]annulene;tricyclo[8.2.2.03,8]tetradeca-3,5,7,11-tetraene;tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 157308135
1-benzyl-4-tert-butylpyrazole;2-tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;6-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2,3-dihydro-1H-indene;5-tert-butyl-1H-indene;4-tert-butylisoquinoline;1-tert-butyl-4-methylcyclohexane;4-tert-butyl-1-(2-methylpropyl)pyrazole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-4-methylthiophene;1-tert-butylpiperidine;5-tert-butylpyrimidine;tetrakis(2,2-dimethylpropane);furan;naphthalene;quinoline;thiophene
CID 157374476

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;bicyclo[4.1.0]hepta-1,3,5-triene;bicyclo[4.2.0]octa-1,3,5-triene;2,3-dihydro-1H-cyclopenta[b]naphthalene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[c]furan;6,7-dihydro-5H-cyclopenta[c]pyridazine;5,6-dihydro-4H-cyclopenta[c]thiophene;6,7-dihydro-5H-cyclopenta[d]pyridazine;2,3-dihydro-1H-indene;(2,2-dimethylpropane);bis(5,6,7,8,9,10-hexahydrobenzo[8]annulene);spiro[1,3-dihydroindene-2,1'-cyclopentane];spiro[1,2-dihydroindene-3,1'-cyclopropane];6,7,8,9-tetrahydro-5H-benzo[7]annulene;4,5,6,7-tetrahydro-1-benzofuran;4,5,6,7-tetrahydro-1-benzothiophene;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydrophthalazine;5,6,7,8-tetrahydroquinazoline;tricyclo[8.2.2.03,8]tetradeca-3,5,7-triene;tricyclo[6.2.1.02,7]undeca-2,4,6-triene;tricyclo[7.1.1.02,7]undeca-2,4,6-triene?
The IUPAC name of 1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;bicyclo[4.1.0]hepta-1,3,5-triene;bicyclo[4.2.0]octa-1,3,5-triene;2,3-dihydro-1H-cyclopenta[b]naphthalene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[c]furan;6,7-dihydro-5H-cyclopenta[c]pyridazine;5,6-dihydro-4H-cyclopenta[c]thiophene;6,7-dihydro-5H-cyclopenta[d]pyridazine;2,3-dihydro-1H-indene;(2,2-dimethylpropane);bis(5,6,7,8,9,10-hexahydrobenzo[8]annulene);spiro[1,3-dihydroindene-2,1'-cyclopentane];spiro[1,2-dihydroindene-3,1'-cyclopropane];6,7,8,9-tetrahydro-5H-benzo[7]annulene;4,5,6,7-tetrahydro-1-benzofuran;4,5,6,7-tetrahydro-1-benzothiophene;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydrophthalazine;5,6,7,8-tetrahydroquinazoline;tricyclo[8.2.2.03,8]tetradeca-3,5,7-triene;tricyclo[6.2.1.02,7]undeca-2,4,6-triene;tricyclo[7.1.1.02,7]undeca-2,4,6-triene (CID 157262803) is 1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;bicyclo[4.1.0]hepta-1,3,5-triene;bicyclo[4.2.0]octa-1,3,5-triene;2,3-dihydro-1H-cyclopenta[b]naphthalene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[c]furan;6,7-dihydro-5H-cyclopenta[c]pyridazine;5,6-dihydro-4H-cyclopenta[c]thiophene;6,7-dihydro-5H-cyclopenta[d]pyridazine;2,3-dihydro-1H-indene;(2,2-dimethylpropane);bis(5,6,7,8,9,10-hexahydrobenzo[8]annulene);spiro[1,3-dihydroindene-2,1'-cyclopentane];spiro[1,2-dihydroindene-3,1'-cyclopropane];6,7,8,9-tetrahydro-5H-benzo[7]annulene;4,5,6,7-tetrahydro-1-benzofuran;4,5,6,7-tetrahydro-1-benzothiophene;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydrophthalazine;5,6,7,8-tetrahydroquinazoline;tricyclo[8.2.2.03,8]tetradeca-3,5,7-triene;tricyclo[6.2.1.02,7]undeca-2,4,6-triene;tricyclo[7.1.1.02,7]undeca-2,4,6-triene.
What is the SMILES notation for 1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;bicyclo[4.1.0]hepta-1,3,5-triene;bicyclo[4.2.0]octa-1,3,5-triene;2,3-dihydro-1H-cyclopenta[b]naphthalene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[c]furan;6,7-dihydro-5H-cyclopenta[c]pyridazine;5,6-dihydro-4H-cyclopenta[c]thiophene;6,7-dihydro-5H-cyclopenta[d]pyridazine;2,3-dihydro-1H-indene;(2,2-dimethylpropane);bis(5,6,7,8,9,10-hexahydrobenzo[8]annulene);spiro[1,3-dihydroindene-2,1'-cyclopentane];spiro[1,2-dihydroindene-3,1'-cyclopropane];6,7,8,9-tetrahydro-5H-benzo[7]annulene;4,5,6,7-tetrahydro-1-benzofuran;4,5,6,7-tetrahydro-1-benzothiophene;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydrophthalazine;5,6,7,8-tetrahydroquinazoline;tricyclo[8.2.2.03,8]tetradeca-3,5,7-triene;tricyclo[6.2.1.02,7]undeca-2,4,6-triene;tricyclo[7.1.1.02,7]undeca-2,4,6-triene?
The canonical SMILES for 1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;bicyclo[4.1.0]hepta-1,3,5-triene;bicyclo[4.2.0]octa-1,3,5-triene;2,3-dihydro-1H-cyclopenta[b]naphthalene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[c]furan;6,7-dihydro-5H-cyclopenta[c]pyridazine;5,6-dihydro-4H-cyclopenta[c]thiophene;6,7-dihydro-5H-cyclopenta[d]pyridazine;2,3-dihydro-1H-indene;(2,2-dimethylpropane);bis(5,6,7,8,9,10-hexahydrobenzo[8]annulene);spiro[1,3-dihydroindene-2,1'-cyclopentane];spiro[1,2-dihydroindene-3,1'-cyclopropane];6,7,8,9-tetrahydro-5H-benzo[7]annulene;4,5,6,7-tetrahydro-1-benzofuran;4,5,6,7-tetrahydro-1-benzothiophene;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydrophthalazine;5,6,7,8-tetrahydroquinazoline;tricyclo[8.2.2.03,8]tetradeca-3,5,7-triene;tricyclo[6.2.1.02,7]undeca-2,4,6-triene;tricyclo[7.1.1.02,7]undeca-2,4,6-triene is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1cc2c(cn1)CCCCC2.c1cc2c(nn1)CCC2.c1cc2c(o1)CCCC2.c1cc2c(s1)CCCC2.c1ccc2c(c1)C1CCC2C1.c1ccc2c(c1)C2.c1ccc2c(c1)CC1(CCCC1)C2.c1ccc2c(c1)CC1CC2C1.c1ccc2c(c1)CC1CCC(CC1)C2.c1ccc2c(c1)CC1CCCC21.c1ccc2c(c1)CC2.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCC21CC1.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCCC2.c1ccc2c(c1)CCCCCC2.c1ccc2c(c1)CCCCCC2.c1ccc2cc3c(cc2c1)CCC3.c1cnc2c(c1)CCC2.c1ncc2c(n1)CCCC2.c1nncc2c1CCC2.c1nncc2c1CCCC2.c1occ2c1CCC2.c1scc2c1CCC2.
What is the InChIKey of 1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;bicyclo[4.1.0]hepta-1,3,5-triene;bicyclo[4.2.0]octa-1,3,5-triene;2,3-dihydro-1H-cyclopenta[b]naphthalene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[c]furan;6,7-dihydro-5H-cyclopenta[c]pyridazine;5,6-dihydro-4H-cyclopenta[c]thiophene;6,7-dihydro-5H-cyclopenta[d]pyridazine;2,3-dihydro-1H-indene;(2,2-dimethylpropane);bis(5,6,7,8,9,10-hexahydrobenzo[8]annulene);spiro[1,3-dihydroindene-2,1'-cyclopentane];spiro[1,2-dihydroindene-3,1'-cyclopropane];6,7,8,9-tetrahydro-5H-benzo[7]annulene;4,5,6,7-tetrahydro-1-benzofuran;4,5,6,7-tetrahydro-1-benzothiophene;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydrophthalazine;5,6,7,8-tetrahydroquinazoline;tricyclo[8.2.2.03,8]tetradeca-3,5,7-triene;tricyclo[6.2.1.02,7]undeca-2,4,6-triene;tricyclo[7.1.1.02,7]undeca-2,4,6-triene?
The InChIKey is AXQSMVFHJAJWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18.C13H16.C13H12.C12H14.2C12H16.3C11H12.C11H14.C10H13N.C10H12.C9H10.2C8H10N2.C8H9N.C8H10O.C8H10S.C8H8.2C7H8N2.C7H8O.C7H8S.C7H6.24C5H12/c1-2-4-14-10-12-7-5-11(6-8-12)9-13(14)3-1;1-2-6-12-10-13(7-3-4-8-13)9-11(12)5-1;1-2-5-11-9-13-7-3-6-12(13)8-10(11)4-1;1-2-6-11-9(4-1)8-10-5-3-7-12(10)11;2*1-2-4-8-12-10-6-5-9-11(12)7-3-1;1-2-4-11-9(3-1)5-8-6-10(11)7-8;1-2-4-10-9(3-1)5-6-11(10)7-8-11;1-2-4-11-9-6-5-8(7-9)10(11)3-1;1-2-6-10-8-4-5-9-11(10)7-3-1;1-2-4-9-6-7-11-8-10(9)5-3-1;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-3-7-4-2-6-9-8(7)5-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-5-7(8)3-1;1-2-6-4-8-9-5-7(6)3-1;1-2-6-4-5-8-9-7(6)3-1;2*1-2-6-4-8-5-7(6)3-1;1-2-4-7-5-6(7)3-1;24*1-5(2,3)4/h1-4,11-12H,5-10H2;1-2,5-6H,3-4,7-10H2;1-2,4-5,8-9H,3,6-7H2;1-2,4,6,10,12H,3,5,7-8H2;2*5-6,9-10H,1-4,7-8H2;1-4,8,10H,5-7H2;1-4H,5-8H2;1-4,8-9H,5-7H2;4-5,8-9H,1-3,6-7H2;6-8H,1-5H2;1-2,5-6H,3-4,7-8H2;1-2,4-5H,3,6-7H2;2*5-6H,1-4H2;2,4,6H,1,3,5H2;2*5-6H,1-4H2;1-4H,5-6H2;2*4-5H,1-3H2;2*4-5H,1-3H2;1-4H,5H2;24*1-4H3.
What are the key properties of 1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;bicyclo[4.1.0]hepta-1,3,5-triene;bicyclo[4.2.0]octa-1,3,5-triene;2,3-dihydro-1H-cyclopenta[b]naphthalene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[c]furan;6,7-dihydro-5H-cyclopenta[c]pyridazine;5,6-dihydro-4H-cyclopenta[c]thiophene;6,7-dihydro-5H-cyclopenta[d]pyridazine;2,3-dihydro-1H-indene;(2,2-dimethylpropane);bis(5,6,7,8,9,10-hexahydrobenzo[8]annulene);spiro[1,3-dihydroindene-2,1'-cyclopentane];spiro[1,2-dihydroindene-3,1'-cyclopropane];6,7,8,9-tetrahydro-5H-benzo[7]annulene;4,5,6,7-tetrahydro-1-benzofuran;4,5,6,7-tetrahydro-1-benzothiophene;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydrophthalazine;5,6,7,8-tetrahydroquinazoline;tricyclo[8.2.2.03,8]tetradeca-3,5,7-triene;tricyclo[6.2.1.02,7]undeca-2,4,6-triene;tricyclo[7.1.1.02,7]undeca-2,4,6-triene?
1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;bicyclo[4.1.0]hepta-1,3,5-triene;bicyclo[4.2.0]octa-1,3,5-triene;2,3-dihydro-1H-cyclopenta[b]naphthalene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[c]furan;6,7-dihydro-5H-cyclopenta[c]pyridazine;5,6-dihydro-4H-cyclopenta[c]thiophene;6,7-dihydro-5H-cyclopenta[d]pyridazine;2,3-dihydro-1H-indene;(2,2-dimethylpropane);bis(5,6,7,8,9,10-hexahydrobenzo[8]annulene);spiro[1,3-dihydroindene-2,1'-cyclopentane];spiro[1,2-dihydroindene-3,1'-cyclopropane];6,7,8,9-tetrahydro-5H-benzo[7]annulene;4,5,6,7-tetrahydro-1-benzofuran;4,5,6,7-tetrahydro-1-benzothiophene;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydrophthalazine;5,6,7,8-tetrahydroquinazoline;tricyclo[8.2.2.03,8]tetradeca-3,5,7-triene;tricyclo[6.2.1.02,7]undeca-2,4,6-triene;tricyclo[7.1.1.02,7]undeca-2,4,6-triene has a molecular weight of 5028.55 g/mol, XLogP of 106.22, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,8b-hexahydrocyclopenta[a]indene;bicyclo[4.1.0]hepta-1,3,5-triene;bicyclo[4.2.0]octa-1,3,5-triene;2,3-dihydro-1H-cyclopenta[b]naphthalene;6,7-dihydro-5H-cyclopenta[b]pyridine;5,6-dihydro-4H-cyclopenta[c]furan;6,7-dihydro-5H-cyclopenta[c]pyridazine;5,6-dihydro-4H-cyclopenta[c]thiophene;6,7-dihydro-5H-cyclopenta[d]pyridazine;2,3-dihydro-1H-indene;(2,2-dimethylpropane);bis(5,6,7,8,9,10-hexahydrobenzo[8]annulene);spiro[1,3-dihydroindene-2,1'-cyclopentane];spiro[1,2-dihydroindene-3,1'-cyclopropane];6,7,8,9-tetrahydro-5H-benzo[7]annulene;4,5,6,7-tetrahydro-1-benzofuran;4,5,6,7-tetrahydro-1-benzothiophene;6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine;1,2,3,4-tetrahydronaphthalene;5,6,7,8-tetrahydrophthalazine;5,6,7,8-tetrahydroquinazoline;tricyclo[8.2.2.03,8]tetradeca-3,5,7-triene;tricyclo[6.2.1.02,7]undeca-2,4,6-triene;tricyclo[7.1.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 157262803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).