11,11-dimethylbenzo[a]fluorene;8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;8,8-dimethyl-3,6,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,5,15,15,25,25-hexamethylheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene;9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene

C150H128N6 — CID 162029873

About 11,11-dimethylbenzo[a]fluorene;8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;8,8-dimethyl-3,6,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,5,15,15,25,25-hexamethylheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene;9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene

11,11-dimethylbenzo[a]fluorene;8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;8,8-dimethyl-3,6,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,5,15,15,25,25-hexamethylheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene;9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene (PubChem CID 162029873) has the molecular formula C150H128N6 and a molecular weight of 2014.72 g/mol. Its IUPAC name is 11,11-dimethylbenzo[a]fluorene;8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;8,8-dimethyl-3,6,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,5,15,15,25,25-hexamethylheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene;9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene.

Molecular Properties

• Compound Name: 11,11-dimethylbenzo[a]fluorene;8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;8,8-dimethyl-3,6,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,5,15,15,25,25-hexamethylheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene;9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
• PubChem CID: 162029873
• Molecular Formula: C150H128N6
• Molecular Weight: 2014.72 g/mol
• Exact Mass: 2013.02
• IUPAC Name: 11,11-dimethylbenzo[a]fluorene;8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;8,8-dimethyl-3,6,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,5,15,15,25,25-hexamethylheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene;9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
• SMILES: CC1(C)c2cc3ccccc3cc2-c2ccc3ccccc3c21.CC1(C)c2ccc3ccccc3c2-c2c1ccc1ccccc21.CC1(C)c2ccccc2-c2c1ccc1c3c(ccc21)C(C)(C)c1ccccc1-3.CC1(C)c2ccccc2-c2cc3c(cc21)-c1cc2c(cc1C3(C)C)-c1ccccc1C2(C)C.CC1(C)c2ccccc2-c2ccc3ccccc3c21.CC1(C)c2cccnc2-c2ncccc21.CC1(C)c2nccnc2-c2nccnc21
• InChI: InChI=1S/C33H30.C28H24.2C23H18.C19H16.C13H12N2.C11H10N4/c1-31(2)25-13-9-7-11-19(25)21-15-29-23(17-27(21)31)24-18-28-22(16-30(24)33(29,5)6)20-12-8-10-14-26(20)32(28,3)4;1-27(2)21-11-7-5-9-19(21)25-17-14-16-24-26(18(17)13-15-23(25)27)20-10-6-8-12-22(20)28(24,3)4;1-23(2)19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)23;1-23(2)21-14-17-9-4-3-8-16(17)13-20(21)19-12-11-15-7-5-6-10-18(15)22(19)23;1-19(2)17-10-6-5-9-15(17)16-12-11-13-7-3-4-8-14(13)18(16)19;1-13(2)9-5-3-7-14-11(9)12-10(13)6-4-8-15-12;1-11(2)9-7(12-3-5-14-9)8-10(11)15-6-4-13-8/h7-18H,1-6H3;5-16H,1-4H3;2*3-14H,1-2H3;3-12H,1-2H3;3-8H,1-2H3;3-6H,1-2H3
• InChIKey: YVWLERSKNHONAR-UHFFFAOYSA-N
• XLogP: 38.16
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2014.72
LogP ≤ 5	38.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethylbenzo[a]fluorene;8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;8,8-dimethyl-3,6,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,5,15,15,25,25-hexamethylheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene;9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene?

The IUPAC name of 11,11-dimethylbenzo[a]fluorene;8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;8,8-dimethyl-3,6,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,5,15,15,25,25-hexamethylheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene;9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene (CID 162029873) is 11,11-dimethylbenzo[a]fluorene;8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;8,8-dimethyl-3,6,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,5,15,15,25,25-hexamethylheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene;9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene.

What is the SMILES notation for 11,11-dimethylbenzo[a]fluorene;8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;8,8-dimethyl-3,6,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,5,15,15,25,25-hexamethylheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene;9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene?

The canonical SMILES for 11,11-dimethylbenzo[a]fluorene;8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;8,8-dimethyl-3,6,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,5,15,15,25,25-hexamethylheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene;9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene is CC1(C)c2cc3ccccc3cc2-c2ccc3ccccc3c21.CC1(C)c2ccc3ccccc3c2-c2c1ccc1ccccc21.CC1(C)c2ccccc2-c2c1ccc1c3c(ccc21)C(C)(C)c1ccccc1-3.CC1(C)c2ccccc2-c2cc3c(cc21)-c1cc2c(cc1C3(C)C)-c1ccccc1C2(C)C.CC1(C)c2ccccc2-c2ccc3ccccc3c21.CC1(C)c2cccnc2-c2ncccc21.CC1(C)c2nccnc2-c2nccnc21.

What is the InChIKey of 11,11-dimethylbenzo[a]fluorene;8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;8,8-dimethyl-3,6,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,5,15,15,25,25-hexamethylheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene;9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene?

The InChIKey is YVWLERSKNHONAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30.C28H24.2C23H18.C19H16.C13H12N2.C11H10N4/c1-31(2)25-13-9-7-11-19(25)21-15-29-23(17-27(21)31)24-18-28-22(16-30(24)33(29,5)6)20-12-8-10-14-26(20)32(28,3)4;1-27(2)21-11-7-5-9-19(21)25-17-14-16-24-26(18(17)13-15-23(25)27)20-10-6-8-12-22(20)28(24,3)4;1-23(2)19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)23;1-23(2)21-14-17-9-4-3-8-16(17)13-20(21)19-12-11-15-7-5-6-10-18(15)22(19)23;1-19(2)17-10-6-5-9-15(17)16-12-11-13-7-3-4-8-14(13)18(16)19;1-13(2)9-5-3-7-14-11(9)12-10(13)6-4-8-15-12;1-11(2)9-7(12-3-5-14-9)8-10(11)15-6-4-13-8/h7-18H,1-6H3;5-16H,1-4H3;2*3-14H,1-2H3;3-12H,1-2H3;3-8H,1-2H3;3-6H,1-2H3.

What are the key properties of 11,11-dimethylbenzo[a]fluorene;8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;8,8-dimethyl-3,6,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,5,15,15,25,25-hexamethylheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene;9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene?

11,11-dimethylbenzo[a]fluorene;8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;8,8-dimethyl-3,6,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,5,15,15,25,25-hexamethylheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene;9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene has a molecular weight of 2014.72 g/mol, XLogP of 38.16, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 11,11-dimethylbenzo[a]fluorene;8,8-dimethyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene;8,8-dimethyl-3,6,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene;5,5,15,15,25,25-hexamethylheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene;9,9,21,21-tetramethylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene is sourced from PubChem (CID 162029873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).