1-[9-(6b,10a-dihydrofluoranthen-3-yl)-10-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine

C55H50N2 — CID 89110876

About 1-[9-(6b,10a-dihydrofluoranthen-3-yl)-10-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine

1-[9-(6b,10a-dihydrofluoranthen-3-yl)-10-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine (PubChem CID 89110876) has the molecular formula C55H50N2 and a molecular weight of 739.02 g/mol. Its IUPAC name is 1-[9-(6b,10a-dihydrofluoranthen-3-yl)-10-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine.

Molecular Properties

• Compound Name: 1-[9-(6b,10a-dihydrofluoranthen-3-yl)-10-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
• PubChem CID: 89110876
• Molecular Formula: C55H50N2
• Molecular Weight: 739.02 g/mol
• Exact Mass: 738.40
• IUPAC Name: 1-[9-(6b,10a-dihydrofluoranthen-3-yl)-10-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4cc(N5CCCCC5)ccc4c(-c4ccc5c6c(cccc46)C4C=CC=CC54)c4cc(N5CCCCC5)ccc34)cc21
• InChI: InChI=1S/C55H50N2/c1-55(2)50-19-8-7-16-40(50)41-23-20-35(32-51(41)55)52-46-24-21-37(57-30-11-4-12-31-57)34-49(46)54(47-25-22-36(33-48(47)52)56-28-9-3-10-29-56)45-27-26-44-39-15-6-5-14-38(39)42-17-13-18-43(45)53(42)44/h5-8,13-27,32-34,38-39H,3-4,9-12,28-31H2,1-2H3
• InChIKey: ACKDETYEHSZZRD-UHFFFAOYSA-N
• XLogP: 14.07
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	739.02
LogP ≤ 5	14.07
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 1-[9-(6b,10a-dihydrofluoranthen-3-yl)-10-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine?

The IUPAC name of 1-[9-(6b,10a-dihydrofluoranthen-3-yl)-10-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine (CID 89110876) is 1-[9-(6b,10a-dihydrofluoranthen-3-yl)-10-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine.

What is the SMILES notation for 1-[9-(6b,10a-dihydrofluoranthen-3-yl)-10-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine?

The canonical SMILES for 1-[9-(6b,10a-dihydrofluoranthen-3-yl)-10-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine is CC1(C)c2ccccc2-c2ccc(-c3c4cc(N5CCCCC5)ccc4c(-c4ccc5c6c(cccc46)C4C=CC=CC54)c4cc(N5CCCCC5)ccc34)cc21.

What is the InChIKey of 1-[9-(6b,10a-dihydrofluoranthen-3-yl)-10-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine?

The InChIKey is ACKDETYEHSZZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H50N2/c1-55(2)50-19-8-7-16-40(50)41-23-20-35(32-51(41)55)52-46-24-21-37(57-30-11-4-12-31-57)34-49(46)54(47-25-22-36(33-48(47)52)56-28-9-3-10-29-56)45-27-26-44-39-15-6-5-14-38(39)42-17-13-18-43(45)53(42)44/h5-8,13-27,32-34,38-39H,3-4,9-12,28-31H2,1-2H3.

What are the key properties of 1-[9-(6b,10a-dihydrofluoranthen-3-yl)-10-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine?

1-[9-(6b,10a-dihydrofluoranthen-3-yl)-10-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine has a molecular weight of 739.02 g/mol, XLogP of 14.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[9-(6b,10a-dihydrofluoranthen-3-yl)-10-(9,9-dimethylfluoren-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine is sourced from PubChem (CID 89110876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).