2,7-dimethyl-9,10-dihydrophenanthrene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;5,14-dimethyltricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene;5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene;3,6,6,9,14,14-hexamethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;bis(3,10,15,15-tetramethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene)

C127H134 — CID 160593140

About 2,7-dimethyl-9,10-dihydrophenanthrene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;5,14-dimethyltricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene;5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene;3,6,6,9,14,14-hexamethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;bis(3,10,15,15-tetramethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene)

2,7-dimethyl-9,10-dihydrophenanthrene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;5,14-dimethyltricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene;5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene;3,6,6,9,14,14-hexamethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;bis(3,10,15,15-tetramethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene) (PubChem CID 160593140) has the molecular formula C127H134 and a molecular weight of 1660.47 g/mol. Its IUPAC name is 2,7-dimethyl-9,10-dihydrophenanthrene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;5,14-dimethyltricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene;5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene;3,6,6,9,14,14-hexamethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;bis(3,10,15,15-tetramethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene).

Molecular Properties

• Compound Name: 2,7-dimethyl-9,10-dihydrophenanthrene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;5,14-dimethyltricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene;5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene;3,6,6,9,14,14-hexamethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;bis(3,10,15,15-tetramethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene)
• PubChem CID: 160593140
• Molecular Formula: C127H134
• Molecular Weight: 1660.47 g/mol
• Exact Mass: 1659.05
• IUPAC Name: 2,7-dimethyl-9,10-dihydrophenanthrene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;5,14-dimethyltricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene;5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene;3,6,6,9,14,14-hexamethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;bis(3,10,15,15-tetramethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene)
• SMILES: Cc1cc2c3c(c1)C(C)(C)c1cc(C)cc(c1-3)C2(C)C.Cc1cc2c3c(c1)C(C)(C)c1cc(C)cc(c1-3)CC2.Cc1cc2c3c(c1)C(C)(C)c1cc(C)cc(c1-3)CC2.Cc1cc2c3c(c1)CCc1cc(C)cc(c1-3)CC2.Cc1ccc2c(c1)CCCCc1cc(C)ccc1-2.Cc1ccc2c(c1)CCCc1cc(C)ccc1-2.Cc1ccc2c(c1)CCc1cc(C)ccc1-2
• InChI: InChI=1S/C20H22.2C19H20.C18H18.C18H20.C17H18.C16H16/c1-11-7-13-17-14(8-11)20(5,6)16-10-12(2)9-15(18(16)17)19(13,3)4;2*1-11-7-13-5-6-14-8-12(2)10-16-18(14)17(13)15(9-11)19(16,3)4;1-11-7-13-3-5-15-9-12(2)10-16-6-4-14(8-11)17(13)18(15)16;1-13-7-9-17-15(11-13)5-3-4-6-16-12-14(2)8-10-18(16)17;1-12-6-8-16-14(10-12)4-3-5-15-11-13(2)7-9-17(15)16;1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15/h7-10H,1-6H3;2*7-10H,5-6H2,1-4H3;7-10H,3-6H2,1-2H3;7-12H,3-6H2,1-2H3;6-11H,3-5H2,1-2H3;3-4,7-10H,5-6H2,1-2H3
• InChIKey: RDHAWNISJIJUJF-UHFFFAOYSA-N
• XLogP: 32.21
• TPSA: 0.00 Ų
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1660.47
LogP ≤ 5	32.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-9,10-dihydrophenanthrene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;5,14-dimethyltricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene;5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene;3,6,6,9,14,14-hexamethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;bis(3,10,15,15-tetramethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene)?

The IUPAC name of 2,7-dimethyl-9,10-dihydrophenanthrene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;5,14-dimethyltricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene;5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene;3,6,6,9,14,14-hexamethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;bis(3,10,15,15-tetramethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene) (CID 160593140) is 2,7-dimethyl-9,10-dihydrophenanthrene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;5,14-dimethyltricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene;5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene;3,6,6,9,14,14-hexamethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;bis(3,10,15,15-tetramethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene).

What is the SMILES notation for 2,7-dimethyl-9,10-dihydrophenanthrene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;5,14-dimethyltricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene;5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene;3,6,6,9,14,14-hexamethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;bis(3,10,15,15-tetramethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene)?

The canonical SMILES for 2,7-dimethyl-9,10-dihydrophenanthrene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;5,14-dimethyltricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene;5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene;3,6,6,9,14,14-hexamethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;bis(3,10,15,15-tetramethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene) is Cc1cc2c3c(c1)C(C)(C)c1cc(C)cc(c1-3)C2(C)C.Cc1cc2c3c(c1)C(C)(C)c1cc(C)cc(c1-3)CC2.Cc1cc2c3c(c1)C(C)(C)c1cc(C)cc(c1-3)CC2.Cc1cc2c3c(c1)CCc1cc(C)cc(c1-3)CC2.Cc1ccc2c(c1)CCCCc1cc(C)ccc1-2.Cc1ccc2c(c1)CCCc1cc(C)ccc1-2.Cc1ccc2c(c1)CCc1cc(C)ccc1-2.

What is the InChIKey of 2,7-dimethyl-9,10-dihydrophenanthrene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;5,14-dimethyltricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene;5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene;3,6,6,9,14,14-hexamethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;bis(3,10,15,15-tetramethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene)?

The InChIKey is RDHAWNISJIJUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22.2C19H20.C18H18.C18H20.C17H18.C16H16/c1-11-7-13-17-14(8-11)20(5,6)16-10-12(2)9-15(18(16)17)19(13,3)4;2*1-11-7-13-5-6-14-8-12(2)10-16-18(14)17(13)15(9-11)19(16,3)4;1-11-7-13-3-5-15-9-12(2)10-16-6-4-14(8-11)17(13)18(15)16;1-13-7-9-17-15(11-13)5-3-4-6-16-12-14(2)8-10-18(16)17;1-12-6-8-16-14(10-12)4-3-5-15-11-13(2)7-9-17(15)16;1-11-3-7-15-13(9-11)5-6-14-10-12(2)4-8-16(14)15/h7-10H,1-6H3;2*7-10H,5-6H2,1-4H3;7-10H,3-6H2,1-2H3;7-12H,3-6H2,1-2H3;6-11H,3-5H2,1-2H3;3-4,7-10H,5-6H2,1-2H3.

What are the key properties of 2,7-dimethyl-9,10-dihydrophenanthrene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;5,14-dimethyltricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene;5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene;3,6,6,9,14,14-hexamethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;bis(3,10,15,15-tetramethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene)?

2,7-dimethyl-9,10-dihydrophenanthrene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;5,14-dimethyltricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene;5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene;3,6,6,9,14,14-hexamethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;bis(3,10,15,15-tetramethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene) has a molecular weight of 1660.47 g/mol, XLogP of 32.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-dimethyl-9,10-dihydrophenanthrene;2,7-dimethyl-4,5,9,10-tetrahydropyrene;5,14-dimethyltricyclo[10.4.0.02,7]hexadeca-1(12),2(7),3,5,13,15-hexaene;5,13-dimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene;3,6,6,9,14,14-hexamethyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene;bis(3,10,15,15-tetramethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),8(13),9,11-hexaene) is sourced from PubChem (CID 160593140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).