5-(3-pyridin-3-ylphenyl)naphtho[1,2-g]quinoline

C28H18N2 — CID 89342118

IUPAC5-(3-pyridin-3-ylphenyl)naphtho[1,2-g]quinoline
SMILESc1cncc(-c2cccc(-c3cc4cc5ncccc5cc4c4ccccc34)c2)c1
InChIInChI=1S/C28H18N2/c1-2-11-25-24(10-1)26(16-23-17-28-21(15-27(23)25)8-5-13-30-28)20-7-3-6-19(14-20)22-9-4-12-29-18-22/h1-18H
InChIKeyTXKXBALIVPICPD-UHFFFAOYSA-N
MW382.47 g/mol
LogP7.27
Rot. Bonds2

About 5-(3-pyridin-3-ylphenyl)naphtho[1,2-g]quinoline

5-(3-pyridin-3-ylphenyl)naphtho[1,2-g]quinoline (PubChem CID 89342118) has the molecular formula C28H18N2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 5-(3-pyridin-3-ylphenyl)naphtho[1,2-g]quinoline.

Molecular Properties

Compound Name5-(3-pyridin-3-ylphenyl)naphtho[1,2-g]quinoline
PubChem CID89342118
Molecular FormulaC28H18N2
Molecular Weight382.47 g/mol
Exact Mass382.15
IUPAC Name5-(3-pyridin-3-ylphenyl)naphtho[1,2-g]quinoline
SMILESc1cncc(-c2cccc(-c3cc4cc5ncccc5cc4c4ccccc34)c2)c1
InChIInChI=1S/C28H18N2/c1-2-11-25-24(10-1)26(16-23-17-28-21(15-27(23)25)8-5-13-30-28)20-7-3-6-19(14-20)22-9-4-12-29-18-22/h1-18H
InChIKeyTXKXBALIVPICPD-UHFFFAOYSA-N
XLogP7.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]benzo[f]quinoline
CID 58323837
3-[3-[9-[3-(2,3,4,5-tetraphenylphenyl)phenyl]pyren-4-yl]phenyl]pyridine
CID 139394574
2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 165168264
6-[4-(3-phenanthren-9-ylphenyl)-5-(3-pyridin-3-ylphenyl)pyrimidin-2-yl]benzene-1,2,3,4,5-pentol
CID 145093934
6-[3-[6-(3-quinolin-6-ylphenyl)phenanthren-1-yl]phenyl]quinoline
CID 121287344
3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine;3-[3-[3-phenanthren-9-yl-5-[3-(5-pyridin-4-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-4-ylpyridine;5-[5-[3-[3-phenanthren-9-yl-5-[3-(5-pyrimidin-5-yl-3-pyridinyl)phenyl]phenyl]phenyl]-3-pyridinyl]pyrimidine
CID 164991562
6-(4-phenanthren-9-ylphenyl)-2-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole
CID 137473475
13-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 134445656
2-(3-naphthalen-1-ylphenyl)-4-(4-phenanthren-9-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 121477588
4-(3-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477404
5,5-dimethyl-4-[3-(3-phenanthren-9-ylphenyl)phenyl]-2-(3-pyridin-3-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100309
2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine
CID 118583016

Frequently Asked Questions

What is the IUPAC name of 5-(3-pyridin-3-ylphenyl)naphtho[1,2-g]quinoline?
The IUPAC name of 5-(3-pyridin-3-ylphenyl)naphtho[1,2-g]quinoline (CID 89342118) is 5-(3-pyridin-3-ylphenyl)naphtho[1,2-g]quinoline.
What is the SMILES notation for 5-(3-pyridin-3-ylphenyl)naphtho[1,2-g]quinoline?
The canonical SMILES for 5-(3-pyridin-3-ylphenyl)naphtho[1,2-g]quinoline is c1cncc(-c2cccc(-c3cc4cc5ncccc5cc4c4ccccc34)c2)c1.
What is the InChIKey of 5-(3-pyridin-3-ylphenyl)naphtho[1,2-g]quinoline?
The InChIKey is TXKXBALIVPICPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2/c1-2-11-25-24(10-1)26(16-23-17-28-21(15-27(23)25)8-5-13-30-28)20-7-3-6-19(14-20)22-9-4-12-29-18-22/h1-18H.
What are the key properties of 5-(3-pyridin-3-ylphenyl)naphtho[1,2-g]quinoline?
5-(3-pyridin-3-ylphenyl)naphtho[1,2-g]quinoline has a molecular weight of 382.47 g/mol, XLogP of 7.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyridin-3-ylphenyl)naphtho[1,2-g]quinoline is sourced from PubChem (CID 89342118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).