2-(9,9-dimethylfluoren-2-yl)-4,5-dihydropyrene;3-(9,9-dimethylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-4,5-dihydropyrene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-phenylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene

C257H190 — CID 161252422

About 2-(9,9-dimethylfluoren-2-yl)-4,5-dihydropyrene;3-(9,9-dimethylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-4,5-dihydropyrene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-phenylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene

2-(9,9-dimethylfluoren-2-yl)-4,5-dihydropyrene;3-(9,9-dimethylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-4,5-dihydropyrene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-phenylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene (PubChem CID 161252422) has the molecular formula C257H190 and a molecular weight of 3278.35 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4,5-dihydropyrene;3-(9,9-dimethylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-4,5-dihydropyrene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-phenylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene.

Molecular Properties

• Compound Name: 2-(9,9-dimethylfluoren-2-yl)-4,5-dihydropyrene;3-(9,9-dimethylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-4,5-dihydropyrene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-phenylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene
• PubChem CID: 161252422
• Molecular Formula: C257H190
• Molecular Weight: 3278.35 g/mol
• Exact Mass: 3275.49
• IUPAC Name: 2-(9,9-dimethylfluoren-2-yl)-4,5-dihydropyrene;3-(9,9-dimethylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-4,5-dihydropyrene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-phenylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene
• SMILES: CC1(C)c2cc(-c3cc4c5c(c3)Cc3cccc(c3-5)C4)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21.CC1(C)c2cc(-c3ccc4c(c3)C3c5ccccc5C4c4ccccc43)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21.CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3cc4c5c(c3)Cc3cccc(c3-5)C4)cc21.CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3cc4c5c(ccc6cccc(c65)CC4)c3)cc21.CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)C3c5ccccc5C4c4ccccc43)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc4c5c(c3)Cc3cccc(c3-5)C4)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc4c5c(ccc6cccc(c65)CC4)c3)cc21
• InChI: InChI=1S/C45H32.C41H30.C39H28.C37H28.C35H26.C31H24.C29H22/c1-45(2)41-25-31(29-16-15-27-9-3-4-10-28(27)23-29)17-20-33(41)34-21-18-32(26-42(34)45)30-19-22-39-40(24-30)44-37-13-7-5-11-35(37)43(39)36-12-6-8-14-38(36)44;1-41(2)37-23-27(25-10-4-3-5-11-25)16-19-29(37)30-20-17-28(24-38(30)41)26-18-21-35-36(22-26)40-33-14-8-6-12-31(33)39(35)32-13-7-9-15-34(32)40;1-39(2)35-21-26(25-11-10-23-6-3-4-7-24(23)16-25)12-14-33(35)34-15-13-27(22-36(34)39)30-19-31-17-28-8-5-9-29-18-32(20-30)38(31)37(28)29;1-37(2)33-21-26(23-7-4-3-5-8-23)15-17-31(33)32-18-16-27(22-34(32)37)30-19-28-13-11-24-9-6-10-25-12-14-29(20-30)36(28)35(24)25;1-35(2)31-19-22(21-7-4-3-5-8-21)11-13-29(31)30-14-12-23(20-32(30)35)26-17-27-15-24-9-6-10-25-16-28(18-26)34(27)33(24)25;1-31(2)27-9-4-3-8-25(27)26-15-14-21(18-28(26)31)24-16-22-12-10-19-6-5-7-20-11-13-23(17-24)30(22)29(19)20;1-29(2)25-9-4-3-8-23(25)24-11-10-17(16-26(24)29)20-14-21-12-18-6-5-7-19-13-22(15-20)28(21)27(18)19/h3-26,43-44H,1-2H3;3-24,39-40H,1-2H3;3-16,19-22H,17-18H2,1-2H3;3-11,13,15-22H,12,14H2,1-2H3;3-14,17-20H,15-16H2,1-2H3;3-10,12,14-18H,11,13H2,1-2H3;3-11,14-16H,12-13H2,1-2H3
• InChIKey: VBLDQTLJXVZCEI-UHFFFAOYSA-N
• XLogP: 65.47
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 257
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3278.35
LogP ≤ 5	65.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4,5-dihydropyrene;3-(9,9-dimethylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-4,5-dihydropyrene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-phenylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene?

The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4,5-dihydropyrene;3-(9,9-dimethylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-4,5-dihydropyrene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-phenylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene (CID 161252422) is 2-(9,9-dimethylfluoren-2-yl)-4,5-dihydropyrene;3-(9,9-dimethylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-4,5-dihydropyrene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-phenylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene.

What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-4,5-dihydropyrene;3-(9,9-dimethylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-4,5-dihydropyrene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-phenylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene?

The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-4,5-dihydropyrene;3-(9,9-dimethylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-4,5-dihydropyrene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-phenylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene is CC1(C)c2cc(-c3cc4c5c(c3)Cc3cccc(c3-5)C4)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21.CC1(C)c2cc(-c3ccc4c(c3)C3c5ccccc5C4c4ccccc43)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21.CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3cc4c5c(c3)Cc3cccc(c3-5)C4)cc21.CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3cc4c5c(ccc6cccc(c65)CC4)c3)cc21.CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)C3c5ccccc5C4c4ccccc43)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc4c5c(c3)Cc3cccc(c3-5)C4)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc4c5c(ccc6cccc(c65)CC4)c3)cc21.

What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-4,5-dihydropyrene;3-(9,9-dimethylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-4,5-dihydropyrene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-phenylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene?

The InChIKey is VBLDQTLJXVZCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32.C41H30.C39H28.C37H28.C35H26.C31H24.C29H22/c1-45(2)41-25-31(29-16-15-27-9-3-4-10-28(27)23-29)17-20-33(41)34-21-18-32(26-42(34)45)30-19-22-39-40(24-30)44-37-13-7-5-11-35(37)43(39)36-12-6-8-14-38(36)44;1-41(2)37-23-27(25-10-4-3-5-11-25)16-19-29(37)30-20-17-28(24-38(30)41)26-18-21-35-36(22-26)40-33-14-8-6-12-31(33)39(35)32-13-7-9-15-34(32)40;1-39(2)35-21-26(25-11-10-23-6-3-4-7-24(23)16-25)12-14-33(35)34-15-13-27(22-36(34)39)30-19-31-17-28-8-5-9-29-18-32(20-30)38(31)37(28)29;1-37(2)33-21-26(23-7-4-3-5-8-23)15-17-31(33)32-18-16-27(22-34(32)37)30-19-28-13-11-24-9-6-10-25-12-14-29(20-30)36(28)35(24)25;1-35(2)31-19-22(21-7-4-3-5-8-21)11-13-29(31)30-14-12-23(20-32(30)35)26-17-27-15-24-9-6-10-25-16-28(18-26)34(27)33(24)25;1-31(2)27-9-4-3-8-25(27)26-15-14-21(18-28(26)31)24-16-22-12-10-19-6-5-7-20-11-13-23(17-24)30(22)29(19)20;1-29(2)25-9-4-3-8-23(25)24-11-10-17(16-26(24)29)20-14-21-12-18-6-5-7-19-13-22(15-20)28(21)27(18)19/h3-26,43-44H,1-2H3;3-24,39-40H,1-2H3;3-16,19-22H,17-18H2,1-2H3;3-11,13,15-22H,12,14H2,1-2H3;3-14,17-20H,15-16H2,1-2H3;3-10,12,14-18H,11,13H2,1-2H3;3-11,14-16H,12-13H2,1-2H3.

What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-4,5-dihydropyrene;3-(9,9-dimethylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-4,5-dihydropyrene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-phenylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene?

2-(9,9-dimethylfluoren-2-yl)-4,5-dihydropyrene;3-(9,9-dimethylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-4,5-dihydropyrene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-phenylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene has a molecular weight of 3278.35 g/mol, XLogP of 65.47, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(9,9-dimethylfluoren-2-yl)-4,5-dihydropyrene;3-(9,9-dimethylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-4,5-dihydropyrene;4-(9,9-dimethyl-7-phenylfluoren-2-yl)pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaene;3-(9,9-dimethyl-7-phenylfluoren-2-yl)tetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene is sourced from PubChem (CID 161252422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).