10-[9-(1,8a-dihydronaphthalen-2-yl)-6-(2,9-dihydro-1H-acridin-10-yl)-10-(9,9-dimethylfluoren-1-yl)anthracen-2-yl]-9H-acridine

C65H50N2 — CID 89111010

About 10-[9-(1,8a-dihydronaphthalen-2-yl)-6-(2,9-dihydro-1H-acridin-10-yl)-10-(9,9-dimethylfluoren-1-yl)anthracen-2-yl]-9H-acridine

10-[9-(1,8a-dihydronaphthalen-2-yl)-6-(2,9-dihydro-1H-acridin-10-yl)-10-(9,9-dimethylfluoren-1-yl)anthracen-2-yl]-9H-acridine (PubChem CID 89111010) has the molecular formula C65H50N2 and a molecular weight of 859.13 g/mol. Its IUPAC name is 10-[9-(1,8a-dihydronaphthalen-2-yl)-6-(2,9-dihydro-1H-acridin-10-yl)-10-(9,9-dimethylfluoren-1-yl)anthracen-2-yl]-9H-acridine.

Molecular Properties

• Compound Name: 10-[9-(1,8a-dihydronaphthalen-2-yl)-6-(2,9-dihydro-1H-acridin-10-yl)-10-(9,9-dimethylfluoren-1-yl)anthracen-2-yl]-9H-acridine
• PubChem CID: 89111010
• Molecular Formula: C65H50N2
• Molecular Weight: 859.13 g/mol
• Exact Mass: 858.40
• IUPAC Name: 10-[9-(1,8a-dihydronaphthalen-2-yl)-6-(2,9-dihydro-1H-acridin-10-yl)-10-(9,9-dimethylfluoren-1-yl)anthracen-2-yl]-9H-acridine
• SMILES: CC1(C)c2ccccc2-c2cccc(-c3c4ccc(N5c6ccccc6Cc6ccccc65)cc4c(C4=CC=C5C=CC=CC5C4)c4ccc(N5C6=C(CCC=C6)Cc6ccccc65)cc34)c21
• InChI: InChI=1S/C65H50N2/c1-65(2)57-25-10-9-22-50(57)53-23-15-24-54(64(53)65)63-52-35-33-48(66-58-26-11-5-18-43(58)37-44-19-6-12-27-59(44)66)39-55(52)62(47-31-30-41-16-3-4-17-42(41)36-47)51-34-32-49(40-56(51)63)67-60-28-13-7-20-45(60)38-46-21-8-14-29-61(46)67/h3-7,9-20,22-35,39-40,42H,8,21,36-38H2,1-2H3
• InChIKey: DWOQOJUHBDNXHD-UHFFFAOYSA-N
• XLogP: 17.09
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.13
LogP ≤ 5	17.09
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-[9-(1,8a-dihydronaphthalen-2-yl)-6-(2,9-dihydro-1H-acridin-10-yl)-10-(9,9-dimethylfluoren-1-yl)anthracen-2-yl]-9H-acridine?

The IUPAC name of 10-[9-(1,8a-dihydronaphthalen-2-yl)-6-(2,9-dihydro-1H-acridin-10-yl)-10-(9,9-dimethylfluoren-1-yl)anthracen-2-yl]-9H-acridine (CID 89111010) is 10-[9-(1,8a-dihydronaphthalen-2-yl)-6-(2,9-dihydro-1H-acridin-10-yl)-10-(9,9-dimethylfluoren-1-yl)anthracen-2-yl]-9H-acridine.

What is the SMILES notation for 10-[9-(1,8a-dihydronaphthalen-2-yl)-6-(2,9-dihydro-1H-acridin-10-yl)-10-(9,9-dimethylfluoren-1-yl)anthracen-2-yl]-9H-acridine?

The canonical SMILES for 10-[9-(1,8a-dihydronaphthalen-2-yl)-6-(2,9-dihydro-1H-acridin-10-yl)-10-(9,9-dimethylfluoren-1-yl)anthracen-2-yl]-9H-acridine is CC1(C)c2ccccc2-c2cccc(-c3c4ccc(N5c6ccccc6Cc6ccccc65)cc4c(C4=CC=C5C=CC=CC5C4)c4ccc(N5C6=C(CCC=C6)Cc6ccccc65)cc34)c21.

What is the InChIKey of 10-[9-(1,8a-dihydronaphthalen-2-yl)-6-(2,9-dihydro-1H-acridin-10-yl)-10-(9,9-dimethylfluoren-1-yl)anthracen-2-yl]-9H-acridine?

The InChIKey is DWOQOJUHBDNXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50N2/c1-65(2)57-25-10-9-22-50(57)53-23-15-24-54(64(53)65)63-52-35-33-48(66-58-26-11-5-18-43(58)37-44-19-6-12-27-59(44)66)39-55(52)62(47-31-30-41-16-3-4-17-42(41)36-47)51-34-32-49(40-56(51)63)67-60-28-13-7-20-45(60)38-46-21-8-14-29-61(46)67/h3-7,9-20,22-35,39-40,42H,8,21,36-38H2,1-2H3.

What are the key properties of 10-[9-(1,8a-dihydronaphthalen-2-yl)-6-(2,9-dihydro-1H-acridin-10-yl)-10-(9,9-dimethylfluoren-1-yl)anthracen-2-yl]-9H-acridine?

10-[9-(1,8a-dihydronaphthalen-2-yl)-6-(2,9-dihydro-1H-acridin-10-yl)-10-(9,9-dimethylfluoren-1-yl)anthracen-2-yl]-9H-acridine has a molecular weight of 859.13 g/mol, XLogP of 17.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[9-(1,8a-dihydronaphthalen-2-yl)-6-(2,9-dihydro-1H-acridin-10-yl)-10-(9,9-dimethylfluoren-1-yl)anthracen-2-yl]-9H-acridine is sourced from PubChem (CID 89111010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).