17,17,34,34-tetramethyl-14,31-di(phenanthren-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

C64H42O2 — CID 134556891

About 17,17,34,34-tetramethyl-14,31-di(phenanthren-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-di(phenanthren-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 134556891) has the molecular formula C64H42O2 and a molecular weight of 843.04 g/mol. Its IUPAC name is 17,17,34,34-tetramethyl-14,31-di(phenanthren-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-di(phenanthren-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: 134556891
• Molecular Formula: C64H42O2
• Molecular Weight: 843.04 g/mol
• Exact Mass: 842.32
• IUPAC Name: 17,17,34,34-tetramethyl-14,31-di(phenanthren-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(-c1cc4ccccc4c4ccccc14)c1oc4ccccc4c21)C(C)(C)c1cc(-c2cc4ccccc4c4ccccc24)c2oc4ccccc4c2c1-3
• InChI: InChI=1S/C64H42O2/c1-63(2)51-33-50-52(34-49(51)57-53(63)31-47(61-59(57)43-25-13-15-27-55(43)65-61)45-29-35-17-5-7-19-37(35)39-21-9-11-23-41(39)45)64(3,4)54-32-48(62-60(58(50)54)44-26-14-16-28-56(44)66-62)46-30-36-18-6-8-20-38(36)40-22-10-12-24-42(40)46/h5-34H,1-4H3
• InChIKey: FNTOJKXTASZIKS-UHFFFAOYSA-N
• XLogP: 18.04
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	843.04
LogP ≤ 5	18.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 17,17,34,34-tetramethyl-14,31-di(phenanthren-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-di(phenanthren-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 134556891) is 17,17,34,34-tetramethyl-14,31-di(phenanthren-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-di(phenanthren-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-di(phenanthren-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(-c1cc4ccccc4c4ccccc14)c1oc4ccccc4c21)C(C)(C)c1cc(-c2cc4ccccc4c4ccccc24)c2oc4ccccc4c2c1-3.

What is the InChIKey of 17,17,34,34-tetramethyl-14,31-di(phenanthren-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 FNTOJKXTASZIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42O2/c1-63(2)51-33-50-52(34-49(51)57-53(63)31-47(61-59(57)43-25-13-15-27-55(43)65-61)45-29-35-17-5-7-19-37(35)39-21-9-11-23-41(39)45)64(3,4)54-32-48(62-60(58(50)54)44-26-14-16-28-56(44)66-62)46-30-36-18-6-8-20-38(36)40-22-10-12-24-42(40)46/h5-34H,1-4H3.

What are the key properties of 17,17,34,34-tetramethyl-14,31-di(phenanthren-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-di(phenanthren-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 843.04 g/mol, XLogP of 18.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 17,17,34,34-tetramethyl-14,31-di(phenanthren-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 134556891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).