16,16,19,19-tetramethyl-13-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]nonacyclo[18.16.0.02,18.05,17.06,15.07,12.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23,25,27,29,31,33,35-heptadecaene

C70H48 — CID 140777459

About 16,16,19,19-tetramethyl-13-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]nonacyclo[18.16.0.02,18.05,17.06,15.07,12.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23,25,27,29,31,33,35-heptadecaene

16,16,19,19-tetramethyl-13-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]nonacyclo[18.16.0.02,18.05,17.06,15.07,12.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23,25,27,29,31,33,35-heptadecaene (PubChem CID 140777459) has the molecular formula C70H48 and a molecular weight of 889.15 g/mol. Its IUPAC name is 16,16,19,19-tetramethyl-13-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]nonacyclo[18.16.0.02,18.05,17.06,15.07,12.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23,25,27,29,31,33,35-heptadecaene.

Molecular Properties

• Compound Name: 16,16,19,19-tetramethyl-13-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]nonacyclo[18.16.0.02,18.05,17.06,15.07,12.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23,25,27,29,31,33,35-heptadecaene
• PubChem CID: 140777459
• Molecular Formula: C70H48
• Molecular Weight: 889.15 g/mol
• Exact Mass: 888.38
• IUPAC Name: 16,16,19,19-tetramethyl-13-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]nonacyclo[18.16.0.02,18.05,17.06,15.07,12.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23,25,27,29,31,33,35-heptadecaene
• SMILES: CC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2ccc3c(c21)C(C)(C)c1cc(-c2ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc2)c2ccccc2c1-3
• InChI: InChI=1S/C70H48/c1-69(2)62-40-60-48-24-10-8-22-46(48)45-21-7-9-23-47(45)59(60)38-61(62)56-36-37-57-66-51-26-12-11-25-49(51)58(39-63(66)70(3,4)68(57)67(56)69)42-32-34-43(35-33-42)64-52-27-13-15-29-54(52)65(55-30-16-14-28-53(55)64)50-31-17-19-41-18-5-6-20-44(41)50/h5-40H,1-4H3
• InChIKey: NKLCWGZADLGSAV-UHFFFAOYSA-N
• XLogP: 19.37
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	889.15
LogP ≤ 5	19.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 16,16,19,19-tetramethyl-13-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]nonacyclo[18.16.0.02,18.05,17.06,15.07,12.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23,25,27,29,31,33,35-heptadecaene?

The IUPAC name of 16,16,19,19-tetramethyl-13-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]nonacyclo[18.16.0.02,18.05,17.06,15.07,12.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23,25,27,29,31,33,35-heptadecaene (CID 140777459) is 16,16,19,19-tetramethyl-13-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]nonacyclo[18.16.0.02,18.05,17.06,15.07,12.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23,25,27,29,31,33,35-heptadecaene.

What is the SMILES notation for 16,16,19,19-tetramethyl-13-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]nonacyclo[18.16.0.02,18.05,17.06,15.07,12.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23,25,27,29,31,33,35-heptadecaene?

The canonical SMILES for 16,16,19,19-tetramethyl-13-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]nonacyclo[18.16.0.02,18.05,17.06,15.07,12.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23,25,27,29,31,33,35-heptadecaene is CC1(C)c2cc3c4ccccc4c4ccccc4c3cc2-c2ccc3c(c21)C(C)(C)c1cc(-c2ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc2)c2ccccc2c1-3.

What is the InChIKey of 16,16,19,19-tetramethyl-13-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]nonacyclo[18.16.0.02,18.05,17.06,15.07,12.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23,25,27,29,31,33,35-heptadecaene?

The InChIKey is NKLCWGZADLGSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48/c1-69(2)62-40-60-48-24-10-8-22-46(48)45-21-7-9-23-47(45)59(60)38-61(62)56-36-37-57-66-51-26-12-11-25-49(51)58(39-63(66)70(3,4)68(57)67(56)69)42-32-34-43(35-33-42)64-52-27-13-15-29-54(52)65(55-30-16-14-28-53(55)64)50-31-17-19-41-18-5-6-20-44(41)50/h5-40H,1-4H3.

What are the key properties of 16,16,19,19-tetramethyl-13-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]nonacyclo[18.16.0.02,18.05,17.06,15.07,12.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23,25,27,29,31,33,35-heptadecaene?

16,16,19,19-tetramethyl-13-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]nonacyclo[18.16.0.02,18.05,17.06,15.07,12.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23,25,27,29,31,33,35-heptadecaene has a molecular weight of 889.15 g/mol, XLogP of 19.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 16,16,19,19-tetramethyl-13-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]nonacyclo[18.16.0.02,18.05,17.06,15.07,12.022,35.023,28.029,34]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23,25,27,29,31,33,35-heptadecaene is sourced from PubChem (CID 140777459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).