10-[10-[9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridin-10-yl]anthracen-9-yl]-9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridine

C64H68N2 — CID 170691771

About 10-[10-[9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridin-10-yl]anthracen-9-yl]-9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridine

10-[10-[9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridin-10-yl]anthracen-9-yl]-9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridine (PubChem CID 170691771) has the molecular formula C64H68N2 and a molecular weight of 865.26 g/mol. Its IUPAC name is 10-[10-[9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridin-10-yl]anthracen-9-yl]-9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridine.

Molecular Properties

• Compound Name: 10-[10-[9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridin-10-yl]anthracen-9-yl]-9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridine
• PubChem CID: 170691771
• Molecular Formula: C64H68N2
• Molecular Weight: 865.26 g/mol
• Exact Mass: 864.54
• IUPAC Name: 10-[10-[9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridin-10-yl]anthracen-9-yl]-9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridine
• SMILES: C=CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C=C)ccc1N2c1c2ccccc2c(N2c3ccc(C(C)(C)C=C)cc3C(C)(C)c3cc(C(C)(C)C=C)ccc32)c2ccccc12
• InChI: InChI=1S/C64H68N2/c1-17-59(5,6)41-29-33-53-49(37-41)63(13,14)50-38-42(60(7,8)18-2)30-34-54(50)65(53)57-45-25-21-23-27-47(45)58(48-28-24-22-26-46(48)57)66-55-35-31-43(61(9,10)19-3)39-51(55)64(15,16)52-40-44(32-36-56(52)66)62(11,12)20-4/h17-40H,1-4H2,5-16H3
• InChIKey: OCCJSOGDNYUKCU-UHFFFAOYSA-N
• XLogP: 18.07
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	865.26
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[10-[9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridin-10-yl]anthracen-9-yl]-9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridine?

The IUPAC name of 10-[10-[9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridin-10-yl]anthracen-9-yl]-9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridine (CID 170691771) is 10-[10-[9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridin-10-yl]anthracen-9-yl]-9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridine.

What is the SMILES notation for 10-[10-[9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridin-10-yl]anthracen-9-yl]-9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridine?

The canonical SMILES for 10-[10-[9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridin-10-yl]anthracen-9-yl]-9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridine is C=CC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)(C)C=C)ccc1N2c1c2ccccc2c(N2c3ccc(C(C)(C)C=C)cc3C(C)(C)c3cc(C(C)(C)C=C)ccc32)c2ccccc12.

What is the InChIKey of 10-[10-[9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridin-10-yl]anthracen-9-yl]-9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridine?

The InChIKey is OCCJSOGDNYUKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H68N2/c1-17-59(5,6)41-29-33-53-49(37-41)63(13,14)50-38-42(60(7,8)18-2)30-34-54(50)65(53)57-45-25-21-23-27-47(45)58(48-28-24-22-26-46(48)57)66-55-35-31-43(61(9,10)19-3)39-51(55)64(15,16)52-40-44(32-36-56(52)66)62(11,12)20-4/h17-40H,1-4H2,5-16H3.

What are the key properties of 10-[10-[9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridin-10-yl]anthracen-9-yl]-9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridine?

10-[10-[9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridin-10-yl]anthracen-9-yl]-9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridine has a molecular weight of 865.26 g/mol, XLogP of 18.07, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[10-[9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridin-10-yl]anthracen-9-yl]-9,9-dimethyl-2,7-bis(2-methylbut-3-en-2-yl)acridine is sourced from PubChem (CID 170691771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).