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

C360H519N11O3S2 — CID 157308135

IUPAC3,3a,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
SMILESC1=CC2(CC2)c2ccccc21.C1=CC2CC1c1ccccc12.C1=CC2CCC1Cc1ccccc1C2.C1=CC2c3ccccc3CC2C1.C1=CCC2(C1)Cc1ccccc1C2.C1=CCc2c(ccc3ccccc23)C1.C1=CCc2ccccc2C1.C1=CCc2ccncc2CC1.C1=CCc2cocc2C1.C1=CCc2sccc2C1.C1=C\CCc2ccccc2CC/1.C1=Cc2cc3ccccc3cc2C1.C1=Cc2cc3ncccc3cc2C1.C1=Cc2ccccc2C/C=C\C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2CCC1.C1=Cc2ccnnc2C1.C1=Cc2ccoc2CC1.C1=Cc2cnncc2C1.C1=Cc2cnncc2CC1.C1=Cc2cocc2C1.C1=Cc2cscc2C1.C1=Cc2ncccc2C1.C1=Cc2ncncc2CC1.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
InChIInChI=1S/C14H12.C14H16.C13H14.C13H10.C12H9N.C12H12.C12H14.C12H12.2C11H10.C11H12.C10H11N.C10H10.C9H8.2C8H8N2.C8H7N.2C8H8O.C8H8S.2C7H6N2.C7H6O.C7H6S.24C5H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-4-14-10-12-7-5-11(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;1-3-9-7-11-5-2-6-13-12(11)8-10(9)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;1-2-4-10-9(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;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;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;24*1-5(2,3)4/h1-5,7,9-10H,6,8H2;1-5,7,11-12H,6,8-10H2;1-6H,7-10H2;1-6,8-9H,7H2;1-2,4-8H,3H2;1-4,6-7,10,12H,5,8H2;1-2,5-6,9-10H,3-4,7-8H2;1,3-6,8-10H,2,7H2;1-6H,7-8H2;1-6,8-9H,7H2;2,4-6,8-9H,1,3,7H2;1-2,6-8H,3-5H2;1-6H,7-8H2;1-6H,7H2;2,4-6H,1,3H2;1,3,5-6H,2,4H2;1-2,4-6H,3H2;1-2,5-6H,3-4H2;1,3,5-6H,2,4H2;1-2,5-6H,3-4H2;2*1-2,4-5H,3H2;2*1-2,4-5H,3H2;24*1-4H3/b;;;;;;2-1-;3-1-,8-4?;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyBCSRELTWVCSANF-IVPCTZJJSA-N
MW5113.32 g/mol
LogP107.37
Rot. Bonds

About 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

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 (PubChem CID 157308135) has the molecular formula C360H519N11O3S2 and a molecular weight of 5113.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,3a,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
PubChem CID157308135
Molecular FormulaC360H519N11O3S2
Molecular Weight5113.32 g/mol
Exact Mass5109.02
IUPAC Name3,3a,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
SMILESC1=CC2(CC2)c2ccccc21.C1=CC2CC1c1ccccc12.C1=CC2CCC1Cc1ccccc1C2.C1=CC2c3ccccc3CC2C1.C1=CCC2(C1)Cc1ccccc1C2.C1=CCc2c(ccc3ccccc23)C1.C1=CCc2ccccc2C1.C1=CCc2ccncc2CC1.C1=CCc2cocc2C1.C1=CCc2sccc2C1.C1=C\CCc2ccccc2CC/1.C1=Cc2cc3ccccc3cc2C1.C1=Cc2cc3ncccc3cc2C1.C1=Cc2ccccc2C/C=C\C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2CCC1.C1=Cc2ccnnc2C1.C1=Cc2ccoc2CC1.C1=Cc2cnncc2C1.C1=Cc2cnncc2CC1.C1=Cc2cocc2C1.C1=Cc2cscc2C1.C1=Cc2ncccc2C1.C1=Cc2ncncc2CC1.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
InChIInChI=1S/C14H12.C14H16.C13H14.C13H10.C12H9N.C12H12.C12H14.C12H12.2C11H10.C11H12.C10H11N.C10H10.C9H8.2C8H8N2.C8H7N.2C8H8O.C8H8S.2C7H6N2.C7H6O.C7H6S.24C5H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-4-14-10-12-7-5-11(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;1-3-9-7-11-5-2-6-13-12(11)8-10(9)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;1-2-4-10-9(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;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;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;24*1-5(2,3)4/h1-5,7,9-10H,6,8H2;1-5,7,11-12H,6,8-10H2;1-6H,7-10H2;1-6,8-9H,7H2;1-2,4-8H,3H2;1-4,6-7,10,12H,5,8H2;1-2,5-6,9-10H,3-4,7-8H2;1,3-6,8-10H,2,7H2;1-6H,7-8H2;1-6,8-9H,7H2;2,4-6,8-9H,1,3,7H2;1-2,6-8H,3-5H2;1-6H,7-8H2;1-6H,7H2;2,4-6H,1,3H2;1,3,5-6H,2,4H2;1-2,4-6H,3H2;1-2,5-6H,3-4H2;1,3,5-6H,2,4H2;1-2,5-6H,3-4H2;2*1-2,4-5H,3H2;2*1-2,4-5H,3H2;24*1-4H3/b;;;;;;2-1-;3-1-,8-4?;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyBCSRELTWVCSANF-IVPCTZJJSA-N
XLogP107.37
TPSA181.21 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms376
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005113.32
LogP ≤ 5107.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

anthracene;benzene;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N,4-dimethylaniline;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;5,8-dimethylisoquinoline;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;5,8-dimethylquinoline;5,8-dimethylquinoxaline;2,5-dimethylthiophene;ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene;naphthalene;perylene;phenanthrene;1,2,5-trimethylpyrrole
CID 157101299
CID 157174322
CID 157174322
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
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
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
N-(4-dibenzofuran-4-ylphenyl)-4,6-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidin-2-amine;N-(4-dibenzofuran-2-ylphenyl)-3-(9-phenylfluoren-9-yl)-N-(4-quinolin-8-ylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylfluoren-9-yl)phenyl]benzo[h]quinolin-5-amine
CID 157499289
9-Methylacridine;2-methylfuran;5-methyl-1-phenylpyrazole;2-methyl-1-phenylpyrrole;2-methylthiophene;1,3,6-trimethylisoquinoline;1,3,7-trimethylisoquinoline;2,4,5-trimethyl-1-phenylimidazole;2,4,7-trimethylquinoline
CID 158048030
2,2-dimethylpropane;9-methylcarbazole;4-methyldibenzofuran;tris(4-methyldibenzothiophene);2-methylfuran;bis(1-methylnaphthalene);N-methyl-N-phenylaniline;3-methyl-9-phenylcarbazole;N-methyl-N-phenylnaphthalen-2-amine;5-methyl-2-phenylpyrimidine;3-methylpyridine;bis(4-methylpyridine);2-methyl-6-pyridin-3-ylpyridine;5-methyl-2-pyridin-2-ylpyridine;5-methylpyrimidine;3-methylthiophene;toluene;2,9,9-trimethylfluorene
CID 158169633
benzene;benzo[e][1]benzofuran;benzo[f][1]benzofuran;1-benzofuran;2-benzofuran;benzo[g][1]benzofuran;1-benzothiophene;2-benzothiophene;cyclopenta-1,3-diene;dibenzofuran;9,9-dimethyl-8aH-acridine;9,9-dimethyl-4a,9a-dihydroxanthene;9,9-dimethylfluorene;1,1-dimethylindene;2,2-dimethylindene;furan;isoquinoline;9-methylcarbazole;1-methylindole;2-methylisoindole;naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;phenanthrene;phenanthridine;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;quinazoline;quinoline;quinoxaline;thiophene
CID 158300910
3-Dibenzofuran-4-yl-9-(1-triphenylen-2-ylisoquinolin-3-yl)carbazole;3-dibenzofuran-4-yl-9-(4-triphenylen-2-ylpyrimidin-2-yl)carbazole;3-dibenzothiophen-3-yl-9-(4-triphenylen-2-ylquinazolin-2-yl)carbazole;3-(9,9-dimethylfluoren-2-yl)-9-(1-triphenylen-2-ylisoquinolin-3-yl)carbazole;3-methyl-6-(9-phenylcarbazol-3-yl)-9-(4-triphenylen-2-ylquinazolin-2-yl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(4-triphenylen-2-ylquinazolin-2-yl)carbazole
CID 158301296
5-(2-Dibenzofuran-4-ylquinazolin-4-yl)-2-(9,9-dimethylfluoren-2-yl)benzo[b]carbazole;5-(2-dibenzothiophen-4-ylquinazolin-4-yl)-2-phenylbenzo[b]carbazole;2-phenyl-5-[2-(6-quinolin-7-yl-3-pyridinyl)quinazolin-4-yl]benzo[b]carbazole
CID 158492978
anthracene;benzene;9,10-dimethylanthracene;1-N,4-N-dimethyl-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;2,5-dimethylfuran;5,8-dimethylisoquinoline;7,10-dimethylphenanthridine;3,8-dimethyl-1,10-phenanthroline;1,4-dimethylphenazine;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;5,8-dimethylquinoline;5,8-dimethylquinoxaline;2,5-dimethylthiophene;ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene;naphthalene;perylene;phenanthrene;1,2,5-trimethylpyrrole
CID 158688524

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC2(CC2)c2ccccc21.C1=CC2CC1c1ccccc12.C1=CC2CCC1Cc1ccccc1C2.C1=CC2c3ccccc3CC2C1.C1=CCC2(C1)Cc1ccccc1C2.C1=CCc2c(ccc3ccccc23)C1.C1=CCc2ccccc2C1.C1=CCc2ccncc2CC1.C1=CCc2cocc2C1.C1=CCc2sccc2C1.C1=C\CCc2ccccc2CC/1.C1=Cc2cc3ccccc3cc2C1.C1=Cc2cc3ncccc3cc2C1.C1=Cc2ccccc2C/C=C\C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2CCC1.C1=Cc2ccnnc2C1.C1=Cc2ccoc2CC1.C1=Cc2cnncc2C1.C1=Cc2cnncc2CC1.C1=Cc2cocc2C1.C1=Cc2cscc2C1.C1=Cc2ncccc2C1.C1=Cc2ncncc2CC1.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.
What is the InChIKey of 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?
The InChIKey is BCSRELTWVCSANF-IVPCTZJJSA-N. The full InChI is InChI=1S/C14H12.C14H16.C13H14.C13H10.C12H9N.C12H12.C12H14.C12H12.2C11H10.C11H12.C10H11N.C10H10.C9H8.2C8H8N2.C8H7N.2C8H8O.C8H8S.2C7H6N2.C7H6O.C7H6S.24C5H12/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-2-4-14-10-12-7-5-11(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;1-3-9-7-11-5-2-6-13-12(11)8-10(9)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;1-2-4-10-9(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;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;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;24*1-5(2,3)4/h1-5,7,9-10H,6,8H2;1-5,7,11-12H,6,8-10H2;1-6H,7-10H2;1-6,8-9H,7H2;1-2,4-8H,3H2;1-4,6-7,10,12H,5,8H2;1-2,5-6,9-10H,3-4,7-8H2;1,3-6,8-10H,2,7H2;1-6H,7-8H2;1-6,8-9H,7H2;2,4-6,8-9H,1,3,7H2;1-2,6-8H,3-5H2;1-6H,7-8H2;1-6H,7H2;2,4-6H,1,3H2;1,3,5-6H,2,4H2;1-2,4-6H,3H2;1-2,5-6H,3-4H2;1,3,5-6H,2,4H2;1-2,5-6H,3-4H2;2*1-2,4-5H,3H2;2*1-2,4-5H,3H2;24*1-4H3/b;;;;;;2-1-;3-1-,8-4?;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 5113.32 g/mol, XLogP of 107.37, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157308135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).