[3,5-bis(acridin-9-ylamino)phenyl]methanol

C33H24N4O — CID 10368395

IUPAC[3,5-bis(acridin-9-ylamino)phenyl]methanol
SMILESOCc1cc(Nc2c3ccccc3nc3ccccc23)cc(Nc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C33H24N4O/c38-20-21-17-22(34-32-24-9-1-5-13-28(24)36-29-14-6-2-10-25(29)32)19-23(18-21)35-33-26-11-3-7-15-30(26)37-31-16-8-4-12-27(31)33/h1-19,38H,20H2,(H,34,36)(H,35,37)
InChIKeyFCFLLUSUDIMIIA-UHFFFAOYSA-N
MW492.58 g/mol
LogP8.07
Rot. Bonds5

About [3,5-bis(acridin-9-ylamino)phenyl]methanol

[3,5-bis(acridin-9-ylamino)phenyl]methanol (PubChem CID 10368395) has the molecular formula C33H24N4O and a molecular weight of 492.58 g/mol. Its IUPAC name is [3,5-bis(acridin-9-ylamino)phenyl]methanol.

Molecular Properties

Compound Name[3,5-bis(acridin-9-ylamino)phenyl]methanol
PubChem CID10368395
Molecular FormulaC33H24N4O
Molecular Weight492.58 g/mol
Exact Mass492.20
IUPAC Name[3,5-bis(acridin-9-ylamino)phenyl]methanol
SMILESOCc1cc(Nc2c3ccccc3nc3ccccc23)cc(Nc2c3ccccc3nc3ccccc23)c1
InChIInChI=1S/C33H24N4O/c38-20-21-17-22(34-32-24-9-1-5-13-28(24)36-29-14-6-2-10-25(29)32)19-23(18-21)35-33-26-11-3-7-15-30(26)37-31-16-8-4-12-27(31)33/h1-19,38H,20H2,(H,34,36)(H,35,37)
InChIKeyFCFLLUSUDIMIIA-UHFFFAOYSA-N
XLogP8.07
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 58.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3,5-bis(acridin-9-ylamino)phenyl]methanol?
The IUPAC name of [3,5-bis(acridin-9-ylamino)phenyl]methanol (CID 10368395) is [3,5-bis(acridin-9-ylamino)phenyl]methanol.
What is the SMILES notation for [3,5-bis(acridin-9-ylamino)phenyl]methanol?
The canonical SMILES for [3,5-bis(acridin-9-ylamino)phenyl]methanol is OCc1cc(Nc2c3ccccc3nc3ccccc23)cc(Nc2c3ccccc3nc3ccccc23)c1.
What is the InChIKey of [3,5-bis(acridin-9-ylamino)phenyl]methanol?
The InChIKey is FCFLLUSUDIMIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N4O/c38-20-21-17-22(34-32-24-9-1-5-13-28(24)36-29-14-6-2-10-25(29)32)19-23(18-21)35-33-26-11-3-7-15-30(26)37-31-16-8-4-12-27(31)33/h1-19,38H,20H2,(H,34,36)(H,35,37).
What are the key properties of [3,5-bis(acridin-9-ylamino)phenyl]methanol?
[3,5-bis(acridin-9-ylamino)phenyl]methanol has a molecular weight of 492.58 g/mol, XLogP of 8.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(acridin-9-ylamino)phenyl]methanol is sourced from PubChem (CID 10368395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).