1-anthracen-9-yl-5H-pyrido[4,3-b]indol-4-ol

C25H16N2O — CID 11132138

IUPAC1-anthracen-9-yl-5H-pyrido[4,3-b]indol-4-ol
SMILESOc1cnc(-c2c3ccccc3cc3ccccc23)c2c1[nH]c1ccccc12
InChIInChI=1S/C25H16N2O/c28-21-14-26-25(23-19-11-5-6-12-20(19)27-24(21)23)22-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)22/h1-14,27-28H
InChIKeyOKDNJQONARKISR-UHFFFAOYSA-N
MW360.42 g/mol
LogP6.40
Rot. Bonds1

About 1-anthracen-9-yl-5H-pyrido[4,3-b]indol-4-ol

1-anthracen-9-yl-5H-pyrido[4,3-b]indol-4-ol (PubChem CID 11132138) has the molecular formula C25H16N2O and a molecular weight of 360.42 g/mol. Its IUPAC name is 1-anthracen-9-yl-5H-pyrido[4,3-b]indol-4-ol.

Molecular Properties

Compound Name1-anthracen-9-yl-5H-pyrido[4,3-b]indol-4-ol
PubChem CID11132138
Molecular FormulaC25H16N2O
Molecular Weight360.42 g/mol
Exact Mass360.13
IUPAC Name1-anthracen-9-yl-5H-pyrido[4,3-b]indol-4-ol
SMILESOc1cnc(-c2c3ccccc3cc3ccccc23)c2c1[nH]c1ccccc12
InChIInChI=1S/C25H16N2O/c28-21-14-26-25(23-19-11-5-6-12-20(19)27-24(21)23)22-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)22/h1-14,27-28H
InChIKeyOKDNJQONARKISR-UHFFFAOYSA-N
XLogP6.40
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.42
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-anthracen-9-yl-5H-pyrido[4,3-b]indol-4-ol?
The IUPAC name of 1-anthracen-9-yl-5H-pyrido[4,3-b]indol-4-ol (CID 11132138) is 1-anthracen-9-yl-5H-pyrido[4,3-b]indol-4-ol.
What is the SMILES notation for 1-anthracen-9-yl-5H-pyrido[4,3-b]indol-4-ol?
The canonical SMILES for 1-anthracen-9-yl-5H-pyrido[4,3-b]indol-4-ol is Oc1cnc(-c2c3ccccc3cc3ccccc23)c2c1[nH]c1ccccc12.
What is the InChIKey of 1-anthracen-9-yl-5H-pyrido[4,3-b]indol-4-ol?
The InChIKey is OKDNJQONARKISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O/c28-21-14-26-25(23-19-11-5-6-12-20(19)27-24(21)23)22-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)22/h1-14,27-28H.
What are the key properties of 1-anthracen-9-yl-5H-pyrido[4,3-b]indol-4-ol?
1-anthracen-9-yl-5H-pyrido[4,3-b]indol-4-ol has a molecular weight of 360.42 g/mol, XLogP of 6.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-9-yl-5H-pyrido[4,3-b]indol-4-ol is sourced from PubChem (CID 11132138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).