10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]spiro[acridine-9,9'-xanthene]

C67H69B2NO — CID 140835374

About 10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]spiro[acridine-9,9'-xanthene]

10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]spiro[acridine-9,9'-xanthene] (PubChem CID 140835374) has the molecular formula C67H69B2NO and a molecular weight of 925.92 g/mol. Its IUPAC name is 10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]spiro[acridine-9,9'-xanthene].

Molecular Properties

• Compound Name: 10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]spiro[acridine-9,9'-xanthene]
• PubChem CID: 140835374
• Molecular Formula: C67H69B2NO
• Molecular Weight: 925.92 g/mol
• Exact Mass: 925.56
• IUPAC Name: 10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]spiro[acridine-9,9'-xanthene]
• SMILES: CC(C)c1cc(C(C)C)c(B2c3ccccc3B(c3c(C(C)C)cc(C(C)C)cc3C(C)C)c3cc(N4c5ccccc5C5(c6ccccc6Oc6ccccc65)c5ccccc54)ccc32)c(C(C)C)c1
• InChI: InChI=1S/C67H69B2NO/c1-40(2)46-35-49(42(5)6)65(50(36-46)43(7)8)68-57-27-17-18-28-58(57)69(66-51(44(9)10)37-47(41(3)4)38-52(66)45(11)12)60-39-48(33-34-59(60)68)70-61-29-19-13-23-53(61)67(54-24-14-20-30-62(54)70)55-25-15-21-31-63(55)71-64-32-22-16-26-56(64)67/h13-45H,1-12H3
• InChIKey: XAMBPPPWOLYXKT-UHFFFAOYSA-N
• XLogP: 14.04
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.92
LogP ≤ 5	14.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]spiro[acridine-9,9'-xanthene]?

The IUPAC name of 10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]spiro[acridine-9,9'-xanthene] (CID 140835374) is 10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]spiro[acridine-9,9'-xanthene].

What is the SMILES notation for 10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]spiro[acridine-9,9'-xanthene]?

The canonical SMILES for 10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]spiro[acridine-9,9'-xanthene] is CC(C)c1cc(C(C)C)c(B2c3ccccc3B(c3c(C(C)C)cc(C(C)C)cc3C(C)C)c3cc(N4c5ccccc5C5(c6ccccc6Oc6ccccc65)c5ccccc54)ccc32)c(C(C)C)c1.

What is the InChIKey of 10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]spiro[acridine-9,9'-xanthene]?

The InChIKey is XAMBPPPWOLYXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H69B2NO/c1-40(2)46-35-49(42(5)6)65(50(36-46)43(7)8)68-57-27-17-18-28-58(57)69(66-51(44(9)10)37-47(41(3)4)38-52(66)45(11)12)60-39-48(33-34-59(60)68)70-61-29-19-13-23-53(61)67(54-24-14-20-30-62(54)70)55-25-15-21-31-63(55)71-64-32-22-16-26-56(64)67/h13-45H,1-12H3.

What are the key properties of 10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]spiro[acridine-9,9'-xanthene]?

10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]spiro[acridine-9,9'-xanthene] has a molecular weight of 925.92 g/mol, XLogP of 14.04, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[5,10-bis[2,4,6-tri(propan-2-yl)phenyl]boranthren-2-yl]spiro[acridine-9,9'-xanthene] is sourced from PubChem (CID 140835374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).