4-chloro-5-phenylbenzo[c][2,7]naphthyridine

C18H11ClN2 — CID 10446974

IUPAC4-chloro-5-phenylbenzo[c][2,7]naphthyridine
SMILESClc1nccc2c1c(-c1ccccc1)nc1ccccc12
InChIInChI=1S/C18H11ClN2/c19-18-16-14(10-11-20-18)13-8-4-5-9-15(13)21-17(16)12-6-2-1-3-7-12/h1-11H
InChIKeyAOPZORJJEPABBF-UHFFFAOYSA-N
MW290.75 g/mol
LogP5.10
Rot. Bonds1

About 4-chloro-5-phenylbenzo[c][2,7]naphthyridine

4-chloro-5-phenylbenzo[c][2,7]naphthyridine (PubChem CID 10446974) has the molecular formula C18H11ClN2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-5-phenylbenzo[c][2,7]naphthyridine.

Molecular Properties

Compound Name4-chloro-5-phenylbenzo[c][2,7]naphthyridine
PubChem CID10446974
Molecular FormulaC18H11ClN2
Molecular Weight290.75 g/mol
Exact Mass290.06
IUPAC Name4-chloro-5-phenylbenzo[c][2,7]naphthyridine
SMILESClc1nccc2c1c(-c1ccccc1)nc1ccccc12
InChIInChI=1S/C18H11ClN2/c19-18-16-14(10-11-20-18)13-8-4-5-9-15(13)21-17(16)12-6-2-1-3-7-12/h1-11H
InChIKeyAOPZORJJEPABBF-UHFFFAOYSA-N
XLogP5.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.75
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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22-[3-(4-pyridin-2-ylphenyl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121474705
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10,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,6,9,11,13(21),14,16,18-decaen-8-one
CID 23245300
7-methyl-6-(4-methylphenyl)phenanthridine
CID 135007702
5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenylbenzo[c][2,7]phenanthroline
CID 164810903
22-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
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12-amino-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-phenylbenzo[c][2,7]naphthyridine?
The IUPAC name of 4-chloro-5-phenylbenzo[c][2,7]naphthyridine (CID 10446974) is 4-chloro-5-phenylbenzo[c][2,7]naphthyridine.
What is the SMILES notation for 4-chloro-5-phenylbenzo[c][2,7]naphthyridine?
The canonical SMILES for 4-chloro-5-phenylbenzo[c][2,7]naphthyridine is Clc1nccc2c1c(-c1ccccc1)nc1ccccc12.
What is the InChIKey of 4-chloro-5-phenylbenzo[c][2,7]naphthyridine?
The InChIKey is AOPZORJJEPABBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2/c19-18-16-14(10-11-20-18)13-8-4-5-9-15(13)21-17(16)12-6-2-1-3-7-12/h1-11H.
What are the key properties of 4-chloro-5-phenylbenzo[c][2,7]naphthyridine?
4-chloro-5-phenylbenzo[c][2,7]naphthyridine has a molecular weight of 290.75 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-phenylbenzo[c][2,7]naphthyridine is sourced from PubChem (CID 10446974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).