10-[6-(9,9-dimethylacridin-10-yl)-9-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-10-(3,5-dimethylphenyl)anthracen-2-yl]-9,9-dimethylacridine

C60H54N2 — CID 89111037

About 10-[6-(9,9-dimethylacridin-10-yl)-9-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-10-(3,5-dimethylphenyl)anthracen-2-yl]-9,9-dimethylacridine

10-[6-(9,9-dimethylacridin-10-yl)-9-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-10-(3,5-dimethylphenyl)anthracen-2-yl]-9,9-dimethylacridine (PubChem CID 89111037) has the molecular formula C60H54N2 and a molecular weight of 803.11 g/mol. Its IUPAC name is 10-[6-(9,9-dimethylacridin-10-yl)-9-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-10-(3,5-dimethylphenyl)anthracen-2-yl]-9,9-dimethylacridine.

Molecular Properties

• Compound Name: 10-[6-(9,9-dimethylacridin-10-yl)-9-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-10-(3,5-dimethylphenyl)anthracen-2-yl]-9,9-dimethylacridine
• PubChem CID: 89111037
• Molecular Formula: C60H54N2
• Molecular Weight: 803.11 g/mol
• Exact Mass: 802.43
• IUPAC Name: 10-[6-(9,9-dimethylacridin-10-yl)-9-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-10-(3,5-dimethylphenyl)anthracen-2-yl]-9,9-dimethylacridine
• SMILES: CC1=CC(C)CC(c2c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc3c(-c3cc(C)cc(C)c3)c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc23)=C1
• InChI: InChI=1S/C60H54N2/c1-37-29-38(2)32-41(31-37)57-45-27-25-44(62-55-23-15-11-19-51(55)60(7,8)52-20-12-16-24-56(52)62)36-48(45)58(42-33-39(3)30-40(4)34-42)46-28-26-43(35-47(46)57)61-53-21-13-9-17-49(53)59(5,6)50-18-10-14-22-54(50)61/h9-33,35-36,40H,34H2,1-8H3
• InChIKey: MTLKXULDETZQAK-UHFFFAOYSA-N
• XLogP: 16.86
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	803.11
LogP ≤ 5	16.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[6-(9,9-dimethylacridin-10-yl)-9-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-10-(3,5-dimethylphenyl)anthracen-2-yl]-9,9-dimethylacridine?

The IUPAC name of 10-[6-(9,9-dimethylacridin-10-yl)-9-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-10-(3,5-dimethylphenyl)anthracen-2-yl]-9,9-dimethylacridine (CID 89111037) is 10-[6-(9,9-dimethylacridin-10-yl)-9-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-10-(3,5-dimethylphenyl)anthracen-2-yl]-9,9-dimethylacridine.

What is the SMILES notation for 10-[6-(9,9-dimethylacridin-10-yl)-9-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-10-(3,5-dimethylphenyl)anthracen-2-yl]-9,9-dimethylacridine?

The canonical SMILES for 10-[6-(9,9-dimethylacridin-10-yl)-9-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-10-(3,5-dimethylphenyl)anthracen-2-yl]-9,9-dimethylacridine is CC1=CC(C)CC(c2c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc3c(-c3cc(C)cc(C)c3)c3cc(N4c5ccccc5C(C)(C)c5ccccc54)ccc23)=C1.

What is the InChIKey of 10-[6-(9,9-dimethylacridin-10-yl)-9-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-10-(3,5-dimethylphenyl)anthracen-2-yl]-9,9-dimethylacridine?

The InChIKey is MTLKXULDETZQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54N2/c1-37-29-38(2)32-41(31-37)57-45-27-25-44(62-55-23-15-11-19-51(55)60(7,8)52-20-12-16-24-56(52)62)36-48(45)58(42-33-39(3)30-40(4)34-42)46-28-26-43(35-47(46)57)61-53-21-13-9-17-49(53)59(5,6)50-18-10-14-22-54(50)61/h9-33,35-36,40H,34H2,1-8H3.

What are the key properties of 10-[6-(9,9-dimethylacridin-10-yl)-9-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-10-(3,5-dimethylphenyl)anthracen-2-yl]-9,9-dimethylacridine?

10-[6-(9,9-dimethylacridin-10-yl)-9-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-10-(3,5-dimethylphenyl)anthracen-2-yl]-9,9-dimethylacridine has a molecular weight of 803.11 g/mol, XLogP of 16.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[6-(9,9-dimethylacridin-10-yl)-9-(3,5-dimethylcyclohexa-1,3-dien-1-yl)-10-(3,5-dimethylphenyl)anthracen-2-yl]-9,9-dimethylacridine is sourced from PubChem (CID 89111037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).