7-[7-(10-naphthalen-2-ylanthracen-9-yl)quinolin-2-yl]pyrido[1,2-b]indazole

C44H27N3 — CID 142370868

IUPAC7-[7-(10-naphthalen-2-ylanthracen-9-yl)quinolin-2-yl]pyrido[1,2-b]indazole
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccc(-c6cccc7c8ccccc8nn67)nc5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C44H27N3/c1-2-11-30-26-31(22-20-28(30)10-1)43-33-12-3-5-14-35(33)44(36-15-6-4-13-34(36)43)32-23-21-29-24-25-39(45-40(29)27-32)42-19-9-18-41-37-16-7-8-17-38(37)46-47(41)42/h1-27H
InChIKeyGBWIIDLTWPQRGA-UHFFFAOYSA-N
MW597.72 g/mol
LogP11.50
Rot. Bonds3

About 7-[7-(10-naphthalen-2-ylanthracen-9-yl)quinolin-2-yl]pyrido[1,2-b]indazole

7-[7-(10-naphthalen-2-ylanthracen-9-yl)quinolin-2-yl]pyrido[1,2-b]indazole (PubChem CID 142370868) has the molecular formula C44H27N3 and a molecular weight of 597.72 g/mol. Its IUPAC name is 7-[7-(10-naphthalen-2-ylanthracen-9-yl)quinolin-2-yl]pyrido[1,2-b]indazole.

Molecular Properties

Compound Name7-[7-(10-naphthalen-2-ylanthracen-9-yl)quinolin-2-yl]pyrido[1,2-b]indazole
PubChem CID142370868
Molecular FormulaC44H27N3
Molecular Weight597.72 g/mol
Exact Mass597.22
IUPAC Name7-[7-(10-naphthalen-2-ylanthracen-9-yl)quinolin-2-yl]pyrido[1,2-b]indazole
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccc(-c6cccc7c8ccccc8nn67)nc5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C44H27N3/c1-2-11-30-26-31(22-20-28(30)10-1)43-33-12-3-5-14-35(33)44(36-15-6-4-13-34(36)43)32-23-21-29-24-25-39(45-40(29)27-32)42-19-9-18-41-37-16-7-8-17-38(37)46-47(41)42/h1-27H
InChIKeyGBWIIDLTWPQRGA-UHFFFAOYSA-N
XLogP11.50
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.72
LogP ≤ 511.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[7-(10-naphthalen-2-ylanthracen-9-yl)quinolin-2-yl]pyrido[1,2-b]indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(7-naphthalen-2-ylquinolin-2-yl)pyrido[1,2-b]indazole
CID 142370838
(Z)-N-[1-[4-(2-pyrido[1,2-b]indazol-7-ylquinolin-7-yl)phenyl]ethenyl]but-2-en-1-imine
CID 142370808
2-[3-benzo[g]quinolin-2-yl-5-(10-quinolin-2-ylanthracen-9-yl)phenyl]benzo[g]quinoline
CID 139364165
2-[2-[4-(1,10-phenanthrolin-3-yl)phenyl]pyrido[1,2-b]indazol-7-yl]-1,10-phenanthroline
CID 142370835
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline
CID 155022869
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
9-(7-carbazol-9-yl-9,10-dinaphthalen-2-ylanthracen-2-yl)carbazole
CID 59220884
5-(10-naphthalen-2-ylanthracen-9-yl)-2-[3-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]phenyl]pyridine
CID 174903865
2-methyl-6-[10-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 58894807
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512

Frequently Asked Questions

What is the IUPAC name of 7-[7-(10-naphthalen-2-ylanthracen-9-yl)quinolin-2-yl]pyrido[1,2-b]indazole?
The IUPAC name of 7-[7-(10-naphthalen-2-ylanthracen-9-yl)quinolin-2-yl]pyrido[1,2-b]indazole (CID 142370868) is 7-[7-(10-naphthalen-2-ylanthracen-9-yl)quinolin-2-yl]pyrido[1,2-b]indazole.
What is the SMILES notation for 7-[7-(10-naphthalen-2-ylanthracen-9-yl)quinolin-2-yl]pyrido[1,2-b]indazole?
The canonical SMILES for 7-[7-(10-naphthalen-2-ylanthracen-9-yl)quinolin-2-yl]pyrido[1,2-b]indazole is c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccc(-c6cccc7c8ccccc8nn67)nc5c4)c4ccccc34)ccc2c1.
What is the InChIKey of 7-[7-(10-naphthalen-2-ylanthracen-9-yl)quinolin-2-yl]pyrido[1,2-b]indazole?
The InChIKey is GBWIIDLTWPQRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3/c1-2-11-30-26-31(22-20-28(30)10-1)43-33-12-3-5-14-35(33)44(36-15-6-4-13-34(36)43)32-23-21-29-24-25-39(45-40(29)27-32)42-19-9-18-41-37-16-7-8-17-38(37)46-47(41)42/h1-27H.
What are the key properties of 7-[7-(10-naphthalen-2-ylanthracen-9-yl)quinolin-2-yl]pyrido[1,2-b]indazole?
7-[7-(10-naphthalen-2-ylanthracen-9-yl)quinolin-2-yl]pyrido[1,2-b]indazole has a molecular weight of 597.72 g/mol, XLogP of 11.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-(10-naphthalen-2-ylanthracen-9-yl)quinolin-2-yl]pyrido[1,2-b]indazole is sourced from PubChem (CID 142370868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).