2,7-dimethyl-9H-fluorene;9,23-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;13,19-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;7,17-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane;2,3,6-trimethyl-1H-indene

C157H174 — CID 158890924

About 2,7-dimethyl-9H-fluorene;9,23-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;13,19-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;7,17-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane;2,3,6-trimethyl-1H-indene

2,7-dimethyl-9H-fluorene;9,23-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;13,19-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;7,17-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane;2,3,6-trimethyl-1H-indene (PubChem CID 158890924) has the molecular formula C157H174 and a molecular weight of 2061.12 g/mol. Its IUPAC name is 2,7-dimethyl-9H-fluorene;9,23-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;13,19-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;7,17-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane;2,3,6-trimethyl-1H-indene.

Molecular Properties

• Compound Name: 2,7-dimethyl-9H-fluorene;9,23-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;13,19-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;7,17-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane;2,3,6-trimethyl-1H-indene
• PubChem CID: 158890924
• Molecular Formula: C157H174
• Molecular Weight: 2061.12 g/mol
• Exact Mass: 2059.36
• IUPAC Name: 2,7-dimethyl-9H-fluorene;9,23-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;13,19-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;7,17-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane;2,3,6-trimethyl-1H-indene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=C(C)c2ccc(C)cc2C1.Cc1cc2c(c3cc4ccccc4cc13)-c1c(cc(C)c3cc4ccccc4cc13)C2.Cc1cc2c(c3ccccc13)-c1c(cc(C)c3ccccc13)C2.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1cccc2c3c(ccc12)Cc1ccc2c(C)cccc2c1-3.Cc1cccc2cc3c4c(ccc3cc12)Cc1ccc2cc3c(C)cccc3cc2c1-4
• InChI: InChI=1S/2C31H22.2C23H18.C15H14.C12H14.11C2H6/c1-18-5-3-7-20-16-28-22(14-26(18)20)9-11-24-13-25-12-10-23-15-27-19(2)6-4-8-21(27)17-29(23)31(25)30(24)28;1-18-11-24-13-25-12-19(2)27-15-21-8-4-6-10-23(21)17-29(27)31(25)30(24)28-16-22-9-5-3-7-20(22)14-26(18)28;1-14-5-3-7-20-18(14)11-9-16-13-17-10-12-19-15(2)6-4-8-21(19)23(17)22(16)20;1-14-11-16-13-17-12-15(2)19-8-4-6-10-21(19)23(17)22(16)20-9-5-3-7-18(14)20;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;1-8-4-5-12-10(3)9(2)7-11(12)6-8;11*1-2/h2*3-12,14-17H,13H2,1-2H3;2*3-12H,13H2,1-2H3;3-8H,9H2,1-2H3;4-6H,7H2,1-3H3;11*1-2H3
• InChIKey: JEFMVCKRMKJBNT-UHFFFAOYSA-N
• XLogP: 47.84
• TPSA: 0.00 Ų
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2061.12
LogP ≤ 5	47.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-9H-fluorene;9,23-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;13,19-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;7,17-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane;2,3,6-trimethyl-1H-indene?

The IUPAC name of 2,7-dimethyl-9H-fluorene;9,23-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;13,19-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;7,17-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane;2,3,6-trimethyl-1H-indene (CID 158890924) is 2,7-dimethyl-9H-fluorene;9,23-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;13,19-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;7,17-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane;2,3,6-trimethyl-1H-indene.

What is the SMILES notation for 2,7-dimethyl-9H-fluorene;9,23-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;13,19-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;7,17-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane;2,3,6-trimethyl-1H-indene?

The canonical SMILES for 2,7-dimethyl-9H-fluorene;9,23-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;13,19-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;7,17-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane;2,3,6-trimethyl-1H-indene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1=C(C)c2ccc(C)cc2C1.Cc1cc2c(c3cc4ccccc4cc13)-c1c(cc(C)c3cc4ccccc4cc13)C2.Cc1cc2c(c3ccccc13)-c1c(cc(C)c3ccccc13)C2.Cc1ccc2c(c1)Cc1cc(C)ccc1-2.Cc1cccc2c3c(ccc12)Cc1ccc2c(C)cccc2c1-3.Cc1cccc2cc3c4c(ccc3cc12)Cc1ccc2cc3c(C)cccc3cc2c1-4.

What is the InChIKey of 2,7-dimethyl-9H-fluorene;9,23-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;13,19-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;7,17-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane;2,3,6-trimethyl-1H-indene?

The InChIKey is JEFMVCKRMKJBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H22.2C23H18.C15H14.C12H14.11C2H6/c1-18-5-3-7-20-16-28-22(14-26(18)20)9-11-24-13-25-12-10-23-15-27-19(2)6-4-8-21(27)17-29(23)31(25)30(24)28;1-18-11-24-13-25-12-19(2)27-15-21-8-4-6-10-23(21)17-29(27)31(25)30(24)28-16-22-9-5-3-7-20(22)14-26(18)28;1-14-5-3-7-20-18(14)11-9-16-13-17-10-12-19-15(2)6-4-8-21(19)23(17)22(16)20;1-14-11-16-13-17-12-15(2)19-8-4-6-10-21(19)23(17)22(16)20-9-5-3-7-18(14)20;1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)14;1-8-4-5-12-10(3)9(2)7-11(12)6-8;11*1-2/h2*3-12,14-17H,13H2,1-2H3;2*3-12H,13H2,1-2H3;3-8H,9H2,1-2H3;4-6H,7H2,1-3H3;11*1-2H3.

What are the key properties of 2,7-dimethyl-9H-fluorene;9,23-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;13,19-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;7,17-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane;2,3,6-trimethyl-1H-indene?

2,7-dimethyl-9H-fluorene;9,23-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;13,19-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;7,17-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane;2,3,6-trimethyl-1H-indene has a molecular weight of 2061.12 g/mol, XLogP of 47.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-dimethyl-9H-fluorene;9,23-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;13,19-dimethylheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;7,17-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9,15-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethane;2,3,6-trimethyl-1H-indene is sourced from PubChem (CID 158890924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).