3,3,34,34-tetramethyl-6,31-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),9,11,13,18,21(33),22(30),23,25,27,31-pentadecaene

C84H66O2 — CID 134557023

About 3,3,34,34-tetramethyl-6,31-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),9,11,13,18,21(33),22(30),23,25,27,31-pentadecaene

3,3,34,34-tetramethyl-6,31-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),9,11,13,18,21(33),22(30),23,25,27,31-pentadecaene (PubChem CID 134557023) has the molecular formula C84H66O2 and a molecular weight of 1107.45 g/mol. Its IUPAC name is 3,3,34,34-tetramethyl-6,31-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),9,11,13,18,21(33),22(30),23,25,27,31-pentadecaene.

Molecular Properties

• Compound Name: 3,3,34,34-tetramethyl-6,31-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),9,11,13,18,21(33),22(30),23,25,27,31-pentadecaene
• PubChem CID: 134557023
• Molecular Formula: C84H66O2
• Molecular Weight: 1107.45 g/mol
• Exact Mass: 1106.51
• IUPAC Name: 3,3,34,34-tetramethyl-6,31-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),9,11,13,18,21(33),22(30),23,25,27,31-pentadecaene
• SMILES: CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2cc4c(c5c2oc2ccccc25)-c2ccc5c(c2C4(C)C)C(C)(C)c2cc(-c4ccc6c(c4)C(C)(C)c4cc7c(cc4-6)C(C)(C)c4ccccc4-7)c4oc6ccccc6c4c2-5)cc1C3(C)C
• InChI: InChI=1S/C84H66O2/c1-79(2)59-25-17-13-21-45(59)55-39-65-57(41-63(55)79)47-31-29-43(35-61(47)81(65,5)6)53-37-67-71(73-49-23-15-19-27-69(49)85-77(53)73)51-33-34-52-72-68(84(11,12)76(52)75(51)83(67,9)10)38-54(78-74(72)50-24-16-20-28-70(50)86-78)44-30-32-48-58-42-64-56(40-66(58)82(7,8)62(48)36-44)46-22-14-18-26-60(46)80(64,3)4/h13-42H,1-12H3
• InChIKey: NTGKERYKXGDTHI-UHFFFAOYSA-N
• XLogP: 22.66
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1107.45
LogP ≤ 5	22.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3,3,34,34-tetramethyl-6,31-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),9,11,13,18,21(33),22(30),23,25,27,31-pentadecaene?

The IUPAC name of 3,3,34,34-tetramethyl-6,31-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),9,11,13,18,21(33),22(30),23,25,27,31-pentadecaene (CID 134557023) is 3,3,34,34-tetramethyl-6,31-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),9,11,13,18,21(33),22(30),23,25,27,31-pentadecaene.

What is the SMILES notation for 3,3,34,34-tetramethyl-6,31-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),9,11,13,18,21(33),22(30),23,25,27,31-pentadecaene?

The canonical SMILES for 3,3,34,34-tetramethyl-6,31-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),9,11,13,18,21(33),22(30),23,25,27,31-pentadecaene is CC1(C)c2ccccc2-c2cc3c(cc21)-c1ccc(-c2cc4c(c5c2oc2ccccc25)-c2ccc5c(c2C4(C)C)C(C)(C)c2cc(-c4ccc6c(c4)C(C)(C)c4cc7c(cc4-6)C(C)(C)c4ccccc4-7)c4oc6ccccc6c4c2-5)cc1C3(C)C.

What is the InChIKey of 3,3,34,34-tetramethyl-6,31-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),9,11,13,18,21(33),22(30),23,25,27,31-pentadecaene?

The InChIKey is NTGKERYKXGDTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H66O2/c1-79(2)59-25-17-13-21-45(59)55-39-65-57(41-63(55)79)47-31-29-43(35-61(47)81(65,5)6)53-37-67-71(73-49-23-15-19-27-69(49)85-77(53)73)51-33-34-52-72-68(84(11,12)76(52)75(51)83(67,9)10)38-54(78-74(72)50-24-16-20-28-70(50)86-78)44-30-32-48-58-42-64-56(40-66(58)82(7,8)62(48)36-44)46-22-14-18-26-60(46)80(64,3)4/h13-42H,1-12H3.

What are the key properties of 3,3,34,34-tetramethyl-6,31-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),9,11,13,18,21(33),22(30),23,25,27,31-pentadecaene?

3,3,34,34-tetramethyl-6,31-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),9,11,13,18,21(33),22(30),23,25,27,31-pentadecaene has a molecular weight of 1107.45 g/mol, XLogP of 22.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3,34,34-tetramethyl-6,31-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)-8,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.09,14.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),9,11,13,18,21(33),22(30),23,25,27,31-pentadecaene is sourced from PubChem (CID 134557023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).