17,17,34,34-tetramethyl-14,31-bis(naphtho[1,2-b][1]benzofuran-9-yl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene

C68H42O4 — CID 134557093

About 17,17,34,34-tetramethyl-14,31-bis(naphtho[1,2-b][1]benzofuran-9-yl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene

17,17,34,34-tetramethyl-14,31-bis(naphtho[1,2-b][1]benzofuran-9-yl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene (PubChem CID 134557093) has the molecular formula C68H42O4 and a molecular weight of 923.08 g/mol. Its IUPAC name is 17,17,34,34-tetramethyl-14,31-bis(naphtho[1,2-b][1]benzofuran-9-yl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene.

Molecular Properties

• Compound Name: 17,17,34,34-tetramethyl-14,31-bis(naphtho[1,2-b][1]benzofuran-9-yl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene
• PubChem CID: 134557093
• Molecular Formula: C68H42O4
• Molecular Weight: 923.08 g/mol
• Exact Mass: 922.31
• IUPAC Name: 17,17,34,34-tetramethyl-14,31-bis(naphtho[1,2-b][1]benzofuran-9-yl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene
• SMILES: CC1(C)c2cc3c(cc2-c2c1cc(-c1ccc4c(c1)oc1c5ccccc5ccc41)c1oc4ccccc4c21)C(C)(C)c1cc(-c2ccc4c(c2)oc2c5ccccc5ccc42)c2oc4ccccc4c2c1-3
• InChI: InChI=1S/C68H42O4/c1-67(2)51-33-50-52(34-49(51)59-53(67)31-47(65-61(59)45-17-9-11-19-55(45)69-65)37-23-25-41-43-27-21-35-13-5-7-15-39(35)63(43)71-57(41)29-37)68(3,4)54-32-48(66-62(60(50)54)46-18-10-12-20-56(46)70-66)38-24-26-42-44-28-22-36-14-6-8-16-40(36)64(44)72-58(42)30-38/h5-34H,1-4H3
• InChIKey: YLTZKUJDRIJOKU-UHFFFAOYSA-N
• XLogP: 19.54
• TPSA: 52.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	923.08
LogP ≤ 5	19.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 17,17,34,34-tetramethyl-14,31-bis(naphtho[1,2-b][1]benzofuran-9-yl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene?

The IUPAC name of 17,17,34,34-tetramethyl-14,31-bis(naphtho[1,2-b][1]benzofuran-9-yl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene (CID 134557093) is 17,17,34,34-tetramethyl-14,31-bis(naphtho[1,2-b][1]benzofuran-9-yl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene.

What is the SMILES notation for 17,17,34,34-tetramethyl-14,31-bis(naphtho[1,2-b][1]benzofuran-9-yl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene?

The canonical SMILES for 17,17,34,34-tetramethyl-14,31-bis(naphtho[1,2-b][1]benzofuran-9-yl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene is CC1(C)c2cc3c(cc2-c2c1cc(-c1ccc4c(c1)oc1c5ccccc5ccc41)c1oc4ccccc4c21)C(C)(C)c1cc(-c2ccc4c(c2)oc2c5ccccc5ccc42)c2oc4ccccc4c2c1-3.

What is the InChIKey of 17,17,34,34-tetramethyl-14,31-bis(naphtho[1,2-b][1]benzofuran-9-yl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene?

The InChIKey is YLTZKUJDRIJOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42O4/c1-67(2)51-33-50-52(34-49(51)59-53(67)31-47(65-61(59)45-17-9-11-19-55(45)69-65)37-23-25-41-43-27-21-35-13-5-7-15-39(35)63(43)71-57(41)29-37)68(3,4)54-32-48(66-62(60(50)54)46-18-10-12-20-56(46)70-66)38-24-26-42-44-28-22-36-14-6-8-16-40(36)64(44)72-58(42)30-38/h5-34H,1-4H3.

What are the key properties of 17,17,34,34-tetramethyl-14,31-bis(naphtho[1,2-b][1]benzofuran-9-yl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene?

17,17,34,34-tetramethyl-14,31-bis(naphtho[1,2-b][1]benzofuran-9-yl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene has a molecular weight of 923.08 g/mol, XLogP of 19.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 17,17,34,34-tetramethyl-14,31-bis(naphtho[1,2-b][1]benzofuran-9-yl)-12,29-dioxanonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),23,25,27,31-pentadecaene is sourced from PubChem (CID 134557093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).