8,8,14,14,22,22-hexamethyl-5-[10-(7-methyl-7,8-dihydronaphthalen-1-yl)anthracen-9-yl]-11,17-bis(10-naphthalen-1-ylanthracen-9-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene

C100H73N — CID 130283896

About 8,8,14,14,22,22-hexamethyl-5-[10-(7-methyl-7,8-dihydronaphthalen-1-yl)anthracen-9-yl]-11,17-bis(10-naphthalen-1-ylanthracen-9-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene

8,8,14,14,22,22-hexamethyl-5-[10-(7-methyl-7,8-dihydronaphthalen-1-yl)anthracen-9-yl]-11,17-bis(10-naphthalen-1-ylanthracen-9-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene (PubChem CID 130283896) has the molecular formula C100H73N and a molecular weight of 1288.69 g/mol. Its IUPAC name is 8,8,14,14,22,22-hexamethyl-5-[10-(7-methyl-7,8-dihydronaphthalen-1-yl)anthracen-9-yl]-11,17-bis(10-naphthalen-1-ylanthracen-9-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 8,8,14,14,22,22-hexamethyl-5-[10-(7-methyl-7,8-dihydronaphthalen-1-yl)anthracen-9-yl]-11,17-bis(10-naphthalen-1-ylanthracen-9-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
• PubChem CID: 130283896
• Molecular Formula: C100H73N
• Molecular Weight: 1288.69 g/mol
• Exact Mass: 1287.57
• IUPAC Name: 8,8,14,14,22,22-hexamethyl-5-[10-(7-methyl-7,8-dihydronaphthalen-1-yl)anthracen-9-yl]-11,17-bis(10-naphthalen-1-ylanthracen-9-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
• SMILES: CC1C=Cc2cccc(-c3c4ccccc4c(-c4cc5c6c(c4)C(C)(C)c4cc(-c7c8ccccc8c(-c8cccc9ccccc89)c8ccccc78)cc7c4N6c4c(cc(-c6c8ccccc8c(-c8cccc9ccccc89)c8ccccc68)cc4C7(C)C)C5(C)C)c4ccccc34)c2C1
• InChI: InChI=1S/C100H73N/c1-58-49-50-61-31-26-48-81(82(61)51-58)94-79-44-22-16-38-73(79)91(74-39-17-23-45-80(74)94)64-56-87-97-88(57-64)100(6,7)86-55-63(90-71-36-14-20-42-77(71)93(78-43-21-15-37-72(78)90)68-47-25-30-60-28-9-11-33-66(60)68)53-84-96(86)101(97)95-83(98(84,2)3)52-62(54-85(95)99(87,4)5)89-69-34-12-18-40-75(69)92(76-41-19-13-35-70(76)89)67-46-24-29-59-27-8-10-32-65(59)67/h8-50,52-58H,51H2,1-7H3
• InChIKey: HYMSFWDXOOFMDN-UHFFFAOYSA-N
• XLogP: 27.51
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1288.69
LogP ≤ 5	27.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8,8,14,14,22,22-hexamethyl-5-[10-(7-methyl-7,8-dihydronaphthalen-1-yl)anthracen-9-yl]-11,17-bis(10-naphthalen-1-ylanthracen-9-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?

The IUPAC name of 8,8,14,14,22,22-hexamethyl-5-[10-(7-methyl-7,8-dihydronaphthalen-1-yl)anthracen-9-yl]-11,17-bis(10-naphthalen-1-ylanthracen-9-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene (CID 130283896) is 8,8,14,14,22,22-hexamethyl-5-[10-(7-methyl-7,8-dihydronaphthalen-1-yl)anthracen-9-yl]-11,17-bis(10-naphthalen-1-ylanthracen-9-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene.

What is the SMILES notation for 8,8,14,14,22,22-hexamethyl-5-[10-(7-methyl-7,8-dihydronaphthalen-1-yl)anthracen-9-yl]-11,17-bis(10-naphthalen-1-ylanthracen-9-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?

The canonical SMILES for 8,8,14,14,22,22-hexamethyl-5-[10-(7-methyl-7,8-dihydronaphthalen-1-yl)anthracen-9-yl]-11,17-bis(10-naphthalen-1-ylanthracen-9-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene is CC1C=Cc2cccc(-c3c4ccccc4c(-c4cc5c6c(c4)C(C)(C)c4cc(-c7c8ccccc8c(-c8cccc9ccccc89)c8ccccc78)cc7c4N6c4c(cc(-c6c8ccccc8c(-c8cccc9ccccc89)c8ccccc68)cc4C7(C)C)C5(C)C)c4ccccc34)c2C1.

What is the InChIKey of 8,8,14,14,22,22-hexamethyl-5-[10-(7-methyl-7,8-dihydronaphthalen-1-yl)anthracen-9-yl]-11,17-bis(10-naphthalen-1-ylanthracen-9-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?

The InChIKey is HYMSFWDXOOFMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H73N/c1-58-49-50-61-31-26-48-81(82(61)51-58)94-79-44-22-16-38-73(79)91(74-39-17-23-45-80(74)94)64-56-87-97-88(57-64)100(6,7)86-55-63(90-71-36-14-20-42-77(71)93(78-43-21-15-37-72(78)90)68-47-25-30-60-28-9-11-33-66(60)68)53-84-96(86)101(97)95-83(98(84,2)3)52-62(54-85(95)99(87,4)5)89-69-34-12-18-40-75(69)92(76-41-19-13-35-70(76)89)67-46-24-29-59-27-8-10-32-65(59)67/h8-50,52-58H,51H2,1-7H3.

What are the key properties of 8,8,14,14,22,22-hexamethyl-5-[10-(7-methyl-7,8-dihydronaphthalen-1-yl)anthracen-9-yl]-11,17-bis(10-naphthalen-1-ylanthracen-9-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?

8,8,14,14,22,22-hexamethyl-5-[10-(7-methyl-7,8-dihydronaphthalen-1-yl)anthracen-9-yl]-11,17-bis(10-naphthalen-1-ylanthracen-9-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 1288.69 g/mol, XLogP of 27.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 8,8,14,14,22,22-hexamethyl-5-[10-(7-methyl-7,8-dihydronaphthalen-1-yl)anthracen-9-yl]-11,17-bis(10-naphthalen-1-ylanthracen-9-yl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 130283896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).