7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol

C38H24N4O — CID 89211592

IUPAC7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol
SMILESOc1c(-c2c3ccccc3cc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)ccc2cccnc12
InChIInChI=1S/C38H24N4O/c43-35-32(20-17-24-15-9-21-39-34(24)35)33-30-16-8-7-14-27(30)22-29-23-28(18-19-31(29)33)38-41-36(25-10-3-1-4-11-25)40-37(42-38)26-12-5-2-6-13-26/h1-23,43H
InChIKeyMXGKAYMSHOVUOV-UHFFFAOYSA-N
MW552.64 g/mol
LogP9.10
Rot. Bonds4

About 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol

7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol (PubChem CID 89211592) has the molecular formula C38H24N4O and a molecular weight of 552.64 g/mol. Its IUPAC name is 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol.

Molecular Properties

Compound Name7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol
PubChem CID89211592
Molecular FormulaC38H24N4O
Molecular Weight552.64 g/mol
Exact Mass552.20
IUPAC Name7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol
SMILESOc1c(-c2c3ccccc3cc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)ccc2cccnc12
InChIInChI=1S/C38H24N4O/c43-35-32(20-17-24-15-9-21-39-34(24)35)33-30-16-8-7-14-27(30)22-29-23-28(18-19-31(29)33)38-41-36(25-10-3-1-4-11-25)40-37(42-38)26-12-5-2-6-13-26/h1-23,43H
InChIKeyMXGKAYMSHOVUOV-UHFFFAOYSA-N
XLogP9.10
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 59.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol?
The IUPAC name of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol (CID 89211592) is 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol.
What is the SMILES notation for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol?
The canonical SMILES for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol is Oc1c(-c2c3ccccc3cc3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)ccc2cccnc12.
What is the InChIKey of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol?
The InChIKey is MXGKAYMSHOVUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O/c43-35-32(20-17-24-15-9-21-39-34(24)35)33-30-16-8-7-14-27(30)22-29-23-28(18-19-31(29)33)38-41-36(25-10-3-1-4-11-25)40-37(42-38)26-12-5-2-6-13-26/h1-23,43H.
What are the key properties of 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol?
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol has a molecular weight of 552.64 g/mol, XLogP of 9.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]quinolin-8-ol is sourced from PubChem (CID 89211592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).