6-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-31-[7-(9-hexyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene

C120H126O2Si2 — CID 153293502

About 6-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-31-[7-(9-hexyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene

6-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-31-[7-(9-hexyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene (PubChem CID 153293502) has the molecular formula C120H126O2Si2 and a molecular weight of 1656.50 g/mol. Its IUPAC name is 6-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-31-[7-(9-hexyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene.

Molecular Properties

• Compound Name: 6-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-31-[7-(9-hexyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene
• PubChem CID: 153293502
• Molecular Formula: C120H126O2Si2
• Molecular Weight: 1656.50 g/mol
• Exact Mass: 1654.93
• IUPAC Name: 6-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-31-[7-(9-hexyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene
• SMILES: CCCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c(c7oc8ccccc8c57)-c5ccc7c(c5[Si]6(C)C)[Si](C)(C)c5cc(-c6ccc8c(c6)C(C)(C)c6cc(-c9ccc%10c(c9)C(CCCCCCCC)(CCCCCCCC)c9ccccc9-%10)ccc6-8)c6c(oc8ccccc86)c5-7)ccc3-4)cc21
• InChI: InChI=1S/C120H126O2Si2/c1-13-17-21-25-28-40-66-119(65-39-24-20-16-4)97-47-35-31-43-83(97)89-59-53-79(71-103(89)119)77-51-57-85-87-61-55-81(73-101(87)117(5,6)99(85)69-77)95-75-107-111(113-109(95)91-45-33-37-49-105(91)121-113)93-63-64-94-112-108(124(11,12)116(94)115(93)123(107,9)10)76-96(110-92-46-34-38-50-106(92)122-114(110)112)82-56-62-88-86-58-52-78(70-100(86)118(7,8)102(88)74-82)80-54-60-90-84-44-32-36-48-98(84)120(104(90)72-80,67-41-29-26-22-18-14-2)68-42-30-27-23-19-15-3/h31-38,43-64,69-76H,13-30,39-42,65-68H2,1-12H3
• InChIKey: HCUMDKAIUQPZGV-UHFFFAOYSA-N
• XLogP: 33.13
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 30
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1656.50
LogP ≤ 5	33.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-31-[7-(9-hexyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene?

The IUPAC name of 6-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-31-[7-(9-hexyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene (CID 153293502) is 6-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-31-[7-(9-hexyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene.

What is the SMILES notation for 6-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-31-[7-(9-hexyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene?

The canonical SMILES for 6-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-31-[7-(9-hexyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene is CCCCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c(c7oc8ccccc8c57)-c5ccc7c(c5[Si]6(C)C)[Si](C)(C)c5cc(-c6ccc8c(c6)C(C)(C)c6cc(-c9ccc%10c(c9)C(CCCCCCCC)(CCCCCCCC)c9ccccc9-%10)ccc6-8)c6c(oc8ccccc86)c5-7)ccc3-4)cc21.

What is the InChIKey of 6-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-31-[7-(9-hexyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene?

The InChIKey is HCUMDKAIUQPZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H126O2Si2/c1-13-17-21-25-28-40-66-119(65-39-24-20-16-4)97-47-35-31-43-83(97)89-59-53-79(71-103(89)119)77-51-57-85-87-61-55-81(73-101(87)117(5,6)99(85)69-77)95-75-107-111(113-109(95)91-45-33-37-49-105(91)121-113)93-63-64-94-112-108(124(11,12)116(94)115(93)123(107,9)10)76-96(110-92-46-34-38-50-106(92)122-114(110)112)82-56-62-88-86-58-52-78(70-100(86)118(7,8)102(88)74-82)80-54-60-90-84-44-32-36-48-98(84)120(104(90)72-80,67-41-29-26-22-18-14-2)68-42-30-27-23-19-15-3/h31-38,43-64,69-76H,13-30,39-42,65-68H2,1-12H3.

What are the key properties of 6-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-31-[7-(9-hexyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene?

6-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-31-[7-(9-hexyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene has a molecular weight of 1656.50 g/mol, XLogP of 33.13, 30 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-31-[7-(9-hexyl-9-octylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxa-3,34-disilanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.024,29]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),24,26,28,31-pentadecaene is sourced from PubChem (CID 153293502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).