9,9'-spirobi[10H-acridine]

C25H18N2 — CID 11210173

IUPAC9,9'-spirobi[10H-acridine]
SMILESc1ccc2c(c1)Nc1ccccc1C21c2ccccc2Nc2ccccc21
InChIInChI=1S/C25H18N2/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)26-21)19-11-3-7-15-23(19)27-24-16-8-4-12-20(24)25/h1-16,26-27H
InChIKeyHMFPRCSANHVXES-UHFFFAOYSA-N
MW346.43 g/mol
LogP6.18
Rot. Bonds

About 9,9'-spirobi[10H-acridine]

9,9'-spirobi[10H-acridine] (PubChem CID 11210173) has the molecular formula C25H18N2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 9,9'-spirobi[10H-acridine].

Molecular Properties

Compound Name9,9'-spirobi[10H-acridine]
PubChem CID11210173
Molecular FormulaC25H18N2
Molecular Weight346.43 g/mol
Exact Mass346.15
IUPAC Name9,9'-spirobi[10H-acridine]
SMILESc1ccc2c(c1)Nc1ccccc1C21c2ccccc2Nc2ccccc21
InChIInChI=1S/C25H18N2/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)26-21)19-11-3-7-15-23(19)27-24-16-8-4-12-20(24)25/h1-16,26-27H
InChIKeyHMFPRCSANHVXES-UHFFFAOYSA-N
XLogP6.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,9'-spirobi[10H-acridine]?
The IUPAC name of 9,9'-spirobi[10H-acridine] (CID 11210173) is 9,9'-spirobi[10H-acridine].
What is the SMILES notation for 9,9'-spirobi[10H-acridine]?
The canonical SMILES for 9,9'-spirobi[10H-acridine] is c1ccc2c(c1)Nc1ccccc1C21c2ccccc2Nc2ccccc21.
What is the InChIKey of 9,9'-spirobi[10H-acridine]?
The InChIKey is HMFPRCSANHVXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)26-21)19-11-3-7-15-23(19)27-24-16-8-4-12-20(24)25/h1-16,26-27H.
What are the key properties of 9,9'-spirobi[10H-acridine]?
9,9'-spirobi[10H-acridine] has a molecular weight of 346.43 g/mol, XLogP of 6.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9'-spirobi[10H-acridine] is sourced from PubChem (CID 11210173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).