15-[1-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-2-[14,14-dimethyl-11-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]ethyl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene

C80H64O2 — CID 146432259

About 15-[1-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-2-[14,14-dimethyl-11-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]ethyl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene

15-[1-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-2-[14,14-dimethyl-11-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]ethyl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene (PubChem CID 146432259) has the molecular formula C80H64O2 and a molecular weight of 1057.39 g/mol. Its IUPAC name is 15-[1-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-2-[14,14-dimethyl-11-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]ethyl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene.

Molecular Properties

• Compound Name: 15-[1-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-2-[14,14-dimethyl-11-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]ethyl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene
• PubChem CID: 146432259
• Molecular Formula: C80H64O2
• Molecular Weight: 1057.39 g/mol
• Exact Mass: 1056.49
• IUPAC Name: 15-[1-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-2-[14,14-dimethyl-11-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]ethyl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene
• SMILES: CC1(C)C2=C(CCC(C(Cc3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccccc6)cc5)c5oc6ccccc6c5c3-4)c3ccc4c(c3)C(C)(C)c3c5c(c6c(oc7ccccc76)c3-4)-c3ccccc3C5(C)C)=C2)c2ccccc21
• InChI: InChI=1S/C80H64O2/c1-77(2)60-26-16-12-22-51(60)52-38-35-49(42-63(52)77)58(50-36-39-55-64(43-50)80(7,8)74-72(55)76-71(57-25-15-19-29-67(57)82-76)69-53-23-13-17-27-61(53)79(5,6)73(69)74)40-45-30-37-54-62(41-45)78(3,4)65-44-59(48-33-31-47(32-34-48)46-20-10-9-11-21-46)75-70(68(54)65)56-24-14-18-28-66(56)81-75/h9-34,36-37,39,41-44,58H,35,38,40H2,1-8H3
• InChIKey: DEVIZUSCHYHZNQ-UHFFFAOYSA-N
• XLogP: 21.53
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1057.39
LogP ≤ 5	21.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 15-[1-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-2-[14,14-dimethyl-11-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]ethyl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene?

The IUPAC name of 15-[1-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-2-[14,14-dimethyl-11-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]ethyl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene (CID 146432259) is 15-[1-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-2-[14,14-dimethyl-11-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]ethyl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene.

What is the SMILES notation for 15-[1-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-2-[14,14-dimethyl-11-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]ethyl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene?

The canonical SMILES for 15-[1-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-2-[14,14-dimethyl-11-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]ethyl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene is CC1(C)C2=C(CCC(C(Cc3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccccc6)cc5)c5oc6ccccc6c5c3-4)c3ccc4c(c3)C(C)(C)c3c5c(c6c(oc7ccccc76)c3-4)-c3ccccc3C5(C)C)=C2)c2ccccc21.

What is the InChIKey of 15-[1-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-2-[14,14-dimethyl-11-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]ethyl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene?

The InChIKey is DEVIZUSCHYHZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H64O2/c1-77(2)60-26-16-12-22-51(60)52-38-35-49(42-63(52)77)58(50-36-39-55-64(43-50)80(7,8)74-72(55)76-71(57-25-15-19-29-67(57)82-76)69-53-23-13-17-27-61(53)79(5,6)73(69)74)40-45-30-37-54-62(41-45)78(3,4)65-44-59(48-33-31-47(32-34-48)46-20-10-9-11-21-46)75-70(68(54)65)56-24-14-18-28-66(56)81-75/h9-34,36-37,39,41-44,58H,35,38,40H2,1-8H3.

What are the key properties of 15-[1-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-2-[14,14-dimethyl-11-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]ethyl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene?

15-[1-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-2-[14,14-dimethyl-11-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]ethyl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene has a molecular weight of 1057.39 g/mol, XLogP of 21.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[1-(9,9-dimethyl-3,4-dihydrofluoren-2-yl)-2-[14,14-dimethyl-11-(4-phenylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]ethyl]-18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene is sourced from PubChem (CID 146432259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).