2,7-dimethyl-4,5-dihydropyrene;2,7-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene];5-methanidyl-2,7-dimethyl-4H-phenanthren-4-ide;2-methanidyl-1-(2-methanidyl-4-methylbenzene-6-id-1-yl)-4-methylbenzene-6-ide;2-methanidyl-1-(2-methanidyl-4-methylphenyl)-4-methylbenzene;bis(1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide);phenylbenzene;pentakis(tungsten(2+));bis(yttrium)

C149H126W5Y2-4 — CID 159702681

IUPAC2,7-dimethyl-4,5-dihydropyrene;2,7-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene];5-methanidyl-2,7-dimethyl-4H-phenanthren-4-ide;2-methanidyl-1-(2-methanidyl-4-methylbenzene-6-id-1-yl)-4-methylbenzene-6-ide;2-methanidyl-1-(2-methanidyl-4-methylphenyl)-4-methylbenzene;bis(1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide);phenylbenzene;pentakis(tungsten(2+));bis(yttrium)
SMILESCc1c[c-]c(-c2[c-]cc(C)cc2)cc1.Cc1c[c-]c(-c2[c-]cc(C)cc2)cc1.Cc1cc2c3c(ccc4cc(C)cc(c43)CC2)c1.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1-2.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.[CH2-]c1cc(C)c[c-]c1-c1[c-]cc(C)cc1[CH2-].[CH2-]c1cc(C)cc2ccc3cc(C)c[c-]c3c12.[CH2-]c1cc(C)ccc1-c1ccc(C)cc1[CH2-].[W+2].[W+2].[W+2].[W+2].[W+2].[Y].[Y].[c-]1ccccc1-c1[c-]cccc1
InChIInChI=1S/C27H20.C18H16.C17H14.C16H16.C16H14.C15H14.2C14H12.C12H8.5W.2Y/c1-17-11-13-21-22-14-12-18(2)16-26(22)27(25(21)15-17)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;1-11-7-13-3-5-15-9-12(2)10-16-6-4-14(8-11)17(13)18(15)16;1-11-4-7-16-14(9-11)5-6-15-10-12(2)8-13(3)17(15)16;2*1-11-5-7-15(13(3)9-11)16-8-6-12(2)10-14(16)4;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;2*1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;;;;;;;/h3-16H,1-2H3;3,5,7-10H,4,6H2,1-2H3;4-6,8-10H,3H2,1-2H3;5-10H,3-4H2,1-2H3;5-6,9-10H,3-4H2,1-2H3;3-8H,9H2,1-2H3;2*3-7,9H,1-2H3;1-7,9H;;;;;;;/q;;2*-2;-4;;3*-2;5*+2;;
InChIKeyMEHBUNOVCNYLSO-UHFFFAOYSA-N
MW3013.66 g/mol
LogP38.17
Rot. Bonds5

About 2,7-dimethyl-4,5-dihydropyrene;2,7-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene];5-methanidyl-2,7-dimethyl-4H-phenanthren-4-ide;2-methanidyl-1-(2-methanidyl-4-methylbenzene-6-id-1-yl)-4-methylbenzene-6-ide;2-methanidyl-1-(2-methanidyl-4-methylphenyl)-4-methylbenzene;bis(1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide);phenylbenzene;pentakis(tungsten(2+));bis(yttrium)

2,7-dimethyl-4,5-dihydropyrene;2,7-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene];5-methanidyl-2,7-dimethyl-4H-phenanthren-4-ide;2-methanidyl-1-(2-methanidyl-4-methylbenzene-6-id-1-yl)-4-methylbenzene-6-ide;2-methanidyl-1-(2-methanidyl-4-methylphenyl)-4-methylbenzene;bis(1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide);phenylbenzene;pentakis(tungsten(2+));bis(yttrium) (PubChem CID 159702681) has the molecular formula C149H126W5Y2-4 and a molecular weight of 3013.66 g/mol. Its IUPAC name is 2,7-dimethyl-4,5-dihydropyrene;2,7-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene];5-methanidyl-2,7-dimethyl-4H-phenanthren-4-ide;2-methanidyl-1-(2-methanidyl-4-methylbenzene-6-id-1-yl)-4-methylbenzene-6-ide;2-methanidyl-1-(2-methanidyl-4-methylphenyl)-4-methylbenzene;bis(1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide);phenylbenzene;pentakis(tungsten(2+));bis(yttrium).

Molecular Properties

Compound Name2,7-dimethyl-4,5-dihydropyrene;2,7-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene];5-methanidyl-2,7-dimethyl-4H-phenanthren-4-ide;2-methanidyl-1-(2-methanidyl-4-methylbenzene-6-id-1-yl)-4-methylbenzene-6-ide;2-methanidyl-1-(2-methanidyl-4-methylphenyl)-4-methylbenzene;bis(1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide);phenylbenzene;pentakis(tungsten(2+));bis(yttrium)
PubChem CID159702681
Molecular FormulaC149H126W5Y2-4
Molecular Weight3013.66 g/mol
Exact Mass3012.55
IUPAC Name2,7-dimethyl-4,5-dihydropyrene;2,7-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene];5-methanidyl-2,7-dimethyl-4H-phenanthren-4-ide;2-methanidyl-1-(2-methanidyl-4-methylbenzene-6-id-1-yl)-4-methylbenzene-6-ide;2-methanidyl-1-(2-methanidyl-4-methylphenyl)-4-methylbenzene;bis(1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide);phenylbenzene;pentakis(tungsten(2+));bis(yttrium)
SMILESCc1c[c-]c(-c2[c-]cc(C)cc2)cc1.Cc1c[c-]c(-c2[c-]cc(C)cc2)cc1.Cc1cc2c3c(ccc4cc(C)cc(c43)CC2)c1.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1-2.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.[CH2-]c1cc(C)c[c-]c1-c1[c-]cc(C)cc1[CH2-].[CH2-]c1cc(C)cc2ccc3cc(C)c[c-]c3c12.[CH2-]c1cc(C)ccc1-c1ccc(C)cc1[CH2-].[W+2].[W+2].[W+2].[W+2].[W+2].[Y].[Y].[c-]1ccccc1-c1[c-]cccc1
InChIInChI=1S/C27H20.C18H16.C17H14.C16H16.C16H14.C15H14.2C14H12.C12H8.5W.2Y/c1-17-11-13-21-22-14-12-18(2)16-26(22)27(25(21)15-17)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;1-11-7-13-3-5-15-9-12(2)10-16-6-4-14(8-11)17(13)18(15)16;1-11-4-7-16-14(9-11)5-6-15-10-12(2)8-13(3)17(15)16;2*1-11-5-7-15(13(3)9-11)16-8-6-12(2)10-14(16)4;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;2*1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;;;;;;;/h3-16H,1-2H3;3,5,7-10H,4,6H2,1-2H3;4-6,8-10H,3H2,1-2H3;5-10H,3-4H2,1-2H3;5-6,9-10H,3-4H2,1-2H3;3-8H,9H2,1-2H3;2*3-7,9H,1-2H3;1-7,9H;;;;;;;/q;;2*-2;-4;;3*-2;5*+2;;
InChIKeyMEHBUNOVCNYLSO-UHFFFAOYSA-N
XLogP38.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003013.66
LogP ≤ 538.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,7-dimethyl-4,5-dihydropyrene;2,7-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene];5-methanidyl-2,7-dimethyl-4H-phenanthren-4-ide;2-methanidyl-1-(2-methanidyl-4-methylbenzene-6-id-1-yl)-4-methylbenzene-6-ide;2-methanidyl-1-(2-methanidyl-4-methylphenyl)-4-methylbenzene;bis(1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide);phenylbenzene;pentakis(tungsten(2+));bis(yttrium) with MolForge

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Related Compounds

2,9-dimethyl-11,12-dihydroindeno[2,1-a]fluorene;2,8-dimethyl-6,12-dihydroindeno[1,2-b]fluorene;2,7-dimethyl-4,5-dihydropyrene;2,7-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene];5-methanidyl-2,7-dimethyl-4H-phenanthren-4-ide;2-methanidyl-1-(2-methanidyl-4-methylbenzene-6-id-1-yl)-4-methylbenzene-6-ide;2-methanidyl-1-(2-methanidyl-4-methylphenyl)-4-methylbenzene;bis(1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide);phenylbenzene;heptakis(vanadium);tris(vanadium(2+));bis(yttrium)
CID 159493088
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
bis(7-methylspiro[9H-indeno[1,2-b]pyridin-9-ide-5,9'-fluorene]);platinum(2+)
CID 59661583
ethane;1-methyl-3-phenylbenzene-4-ide;1-methyl-4-phenylbenzene-5-ide;(yttrium)
CID 157288339
lithium;acetic acid;deuterio thiohypofluorite;2,7-dimethyl-9H-fluorene;2,7-dimethylfluoren-9-one;2,7-dimethyl-9-(2-phenylphenyl)fluoren-9-ol;2',7'-dimethyl-9,9'-spirobi[fluorene];1-methyl-2-phenylbenzene;phenylbenzene
CID 159590263
CID 58607554
CID 58607554
2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene]
CID 157309373
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
2-N,7-N-bis(9H-fluoren-2-yl)-2-N,7-N-bis(7-methyl-9H-fluoren-2-yl)-9H-fluorene-2,7-diamine;2-N',7-N'-bis(7'-methyl-9,9'-spirobi[fluorene]-2'-yl)-2-N',7-N'-diphenyl-9,9'-spirobi[fluorene]-2',7'-diamine;(4-methylphenyl)-[7-[(4-methylphenyl)-phenylphosphanyl]-9H-fluoren-2-yl]-phenylphosphane;(4-methylphenyl)-[7'-[(4-methylphenyl)-phenylphosphanyl]-9,9'-spirobi[fluorene]-2'-yl]-phenylphosphane
CID 159087588
9-methylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene]
CID 145137943
9,9-di(phenyl)fluorene;1,3,5-trimethylbenzene;yttrium
CID 161215177

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4,5-dihydropyrene;2,7-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene];5-methanidyl-2,7-dimethyl-4H-phenanthren-4-ide;2-methanidyl-1-(2-methanidyl-4-methylbenzene-6-id-1-yl)-4-methylbenzene-6-ide;2-methanidyl-1-(2-methanidyl-4-methylphenyl)-4-methylbenzene;bis(1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide);phenylbenzene;pentakis(tungsten(2+));bis(yttrium)?
The IUPAC name of 2,7-dimethyl-4,5-dihydropyrene;2,7-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene];5-methanidyl-2,7-dimethyl-4H-phenanthren-4-ide;2-methanidyl-1-(2-methanidyl-4-methylbenzene-6-id-1-yl)-4-methylbenzene-6-ide;2-methanidyl-1-(2-methanidyl-4-methylphenyl)-4-methylbenzene;bis(1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide);phenylbenzene;pentakis(tungsten(2+));bis(yttrium) (CID 159702681) is 2,7-dimethyl-4,5-dihydropyrene;2,7-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene];5-methanidyl-2,7-dimethyl-4H-phenanthren-4-ide;2-methanidyl-1-(2-methanidyl-4-methylbenzene-6-id-1-yl)-4-methylbenzene-6-ide;2-methanidyl-1-(2-methanidyl-4-methylphenyl)-4-methylbenzene;bis(1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide);phenylbenzene;pentakis(tungsten(2+));bis(yttrium).
What is the SMILES notation for 2,7-dimethyl-4,5-dihydropyrene;2,7-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene];5-methanidyl-2,7-dimethyl-4H-phenanthren-4-ide;2-methanidyl-1-(2-methanidyl-4-methylbenzene-6-id-1-yl)-4-methylbenzene-6-ide;2-methanidyl-1-(2-methanidyl-4-methylphenyl)-4-methylbenzene;bis(1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide);phenylbenzene;pentakis(tungsten(2+));bis(yttrium)?
The canonical SMILES for 2,7-dimethyl-4,5-dihydropyrene;2,7-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene];5-methanidyl-2,7-dimethyl-4H-phenanthren-4-ide;2-methanidyl-1-(2-methanidyl-4-methylbenzene-6-id-1-yl)-4-methylbenzene-6-ide;2-methanidyl-1-(2-methanidyl-4-methylphenyl)-4-methylbenzene;bis(1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide);phenylbenzene;pentakis(tungsten(2+));bis(yttrium) is Cc1c[c-]c(-c2[c-]cc(C)cc2)cc1.Cc1c[c-]c(-c2[c-]cc(C)cc2)cc1.Cc1cc2c3c(ccc4cc(C)cc(c43)CC2)c1.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1-2.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.[CH2-]c1cc(C)c[c-]c1-c1[c-]cc(C)cc1[CH2-].[CH2-]c1cc(C)cc2ccc3cc(C)c[c-]c3c12.[CH2-]c1cc(C)ccc1-c1ccc(C)cc1[CH2-].[W+2].[W+2].[W+2].[W+2].[W+2].[Y].[Y].[c-]1ccccc1-c1[c-]cccc1.
What is the InChIKey of 2,7-dimethyl-4,5-dihydropyrene;2,7-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene];5-methanidyl-2,7-dimethyl-4H-phenanthren-4-ide;2-methanidyl-1-(2-methanidyl-4-methylbenzene-6-id-1-yl)-4-methylbenzene-6-ide;2-methanidyl-1-(2-methanidyl-4-methylphenyl)-4-methylbenzene;bis(1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide);phenylbenzene;pentakis(tungsten(2+));bis(yttrium)?
The InChIKey is MEHBUNOVCNYLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20.C18H16.C17H14.C16H16.C16H14.C15H14.2C14H12.C12H8.5W.2Y/c1-17-11-13-21-22-14-12-18(2)16-26(22)27(25(21)15-17)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;1-11-7-13-3-5-15-9-12(2)10-16-6-4-14(8-11)17(13)18(15)16;1-11-4-7-16-14(9-11)5-6-15-10-12(2)8-13(3)17(15)16;2*1-11-5-7-15(13(3)9-11)16-8-6-12(2)10-14(16)4;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;2*1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;;;;;;;/h3-16H,1-2H3;3,5,7-10H,4,6H2,1-2H3;4-6,8-10H,3H2,1-2H3;5-10H,3-4H2,1-2H3;5-6,9-10H,3-4H2,1-2H3;3-8H,9H2,1-2H3;2*3-7,9H,1-2H3;1-7,9H;;;;;;;/q;;2*-2;-4;;3*-2;5*+2;;.
What are the key properties of 2,7-dimethyl-4,5-dihydropyrene;2,7-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene];5-methanidyl-2,7-dimethyl-4H-phenanthren-4-ide;2-methanidyl-1-(2-methanidyl-4-methylbenzene-6-id-1-yl)-4-methylbenzene-6-ide;2-methanidyl-1-(2-methanidyl-4-methylphenyl)-4-methylbenzene;bis(1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide);phenylbenzene;pentakis(tungsten(2+));bis(yttrium)?
2,7-dimethyl-4,5-dihydropyrene;2,7-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene];5-methanidyl-2,7-dimethyl-4H-phenanthren-4-ide;2-methanidyl-1-(2-methanidyl-4-methylbenzene-6-id-1-yl)-4-methylbenzene-6-ide;2-methanidyl-1-(2-methanidyl-4-methylphenyl)-4-methylbenzene;bis(1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide);phenylbenzene;pentakis(tungsten(2+));bis(yttrium) has a molecular weight of 3013.66 g/mol, XLogP of 38.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4,5-dihydropyrene;2,7-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene];5-methanidyl-2,7-dimethyl-4H-phenanthren-4-ide;2-methanidyl-1-(2-methanidyl-4-methylbenzene-6-id-1-yl)-4-methylbenzene-6-ide;2-methanidyl-1-(2-methanidyl-4-methylphenyl)-4-methylbenzene;bis(1-methyl-4-(4-methylbenzene-6-id-1-yl)benzene-5-ide);phenylbenzene;pentakis(tungsten(2+));bis(yttrium) is sourced from PubChem (CID 159702681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).