6,31-bis[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxanonacyclo[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),25,27,31-tetradecaene

C124H132O2 — CID 134557118

About 6,31-bis[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxanonacyclo[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),25,27,31-tetradecaene

6,31-bis[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxanonacyclo[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),25,27,31-tetradecaene (PubChem CID 134557118) has the molecular formula C124H132O2 and a molecular weight of 1654.42 g/mol. Its IUPAC name is 6,31-bis[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxanonacyclo[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),25,27,31-tetradecaene.

Molecular Properties

• Compound Name: 6,31-bis[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxanonacyclo[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),25,27,31-tetradecaene
• PubChem CID: 134557118
• Molecular Formula: C124H132O2
• Molecular Weight: 1654.42 g/mol
• Exact Mass: 1653.02
• IUPAC Name: 6,31-bis[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxanonacyclo[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),25,27,31-tetradecaene
• SMILES: CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c(c7c5C5C=CC=CC5O7)-c5ccc7c(c5C6(C)C)C(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/C124H132O2/c1-13-17-21-25-29-41-67-123(68-42-30-26-22-18-14-2)99-49-37-33-45-85(99)91-61-55-81(73-105(91)123)79-53-59-87-89-63-57-83(75-103(89)119(5,6)101(87)71-79)97-77-107-113(117-111(97)93-47-35-39-51-109(93)125-117)95-65-66-96-114-108(122(11,12)116(96)115(95)121(107,9)10)78-98(112-94-48-36-40-52-110(94)126-118(112)114)84-58-64-90-88-60-54-80(72-102(88)120(7,8)104(90)76-84)82-56-62-92-86-46-34-38-50-100(86)124(106(92)74-82,69-43-31-27-23-19-15-3)70-44-32-28-24-20-16-4/h33-40,45-66,71-78,93,109H,13-32,41-44,67-70H2,1-12H3
• InChIKey: IHYNHZHMBNDGCL-UHFFFAOYSA-N
• XLogP: 35.99
• TPSA: 22.37 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 32
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1654.42
LogP ≤ 5	35.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,31-bis[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxanonacyclo[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),25,27,31-tetradecaene?

The IUPAC name of 6,31-bis[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxanonacyclo[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),25,27,31-tetradecaene (CID 134557118) is 6,31-bis[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxanonacyclo[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),25,27,31-tetradecaene.

What is the SMILES notation for 6,31-bis[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxanonacyclo[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),25,27,31-tetradecaene?

The canonical SMILES for 6,31-bis[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxanonacyclo[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),25,27,31-tetradecaene is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5cc6c(c7c5C5C=CC=CC5O7)-c5ccc7c(c5C6(C)C)C(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 6,31-bis[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxanonacyclo[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),25,27,31-tetradecaene?

The InChIKey is IHYNHZHMBNDGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H132O2/c1-13-17-21-25-29-41-67-123(68-42-30-26-22-18-14-2)99-49-37-33-45-85(99)91-61-55-81(73-105(91)123)79-53-59-87-89-63-57-83(75-103(89)119(5,6)101(87)71-79)97-77-107-113(117-111(97)93-47-35-39-51-109(93)125-117)95-65-66-96-114-108(122(11,12)116(96)115(95)121(107,9)10)78-98(112-94-48-36-40-52-110(94)126-118(112)114)84-58-64-90-88-60-54-80(72-102(88)120(7,8)104(90)76-84)82-56-62-92-86-46-34-38-50-100(86)124(106(92)74-82,69-43-31-27-23-19-15-3)70-44-32-28-24-20-16-4/h33-40,45-66,71-78,93,109H,13-32,41-44,67-70H2,1-12H3.

What are the key properties of 6,31-bis[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxanonacyclo[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),25,27,31-tetradecaene?

6,31-bis[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxanonacyclo[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),25,27,31-tetradecaene has a molecular weight of 1654.42 g/mol, XLogP of 35.99, 32 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6,31-bis[7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3,3,34,34-tetramethyl-14,23-dioxanonacyclo[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),25,27,31-tetradecaene is sourced from PubChem (CID 134557118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).