6-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline

C49H31N3 — CID 147415127

IUPAC6-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline
SMILESc1ccc(-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4ccc(-c5cc6cccnc6c6ccccc56)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C49H31N3/c1-2-11-32(12-3-1)33-20-26-36(27-21-33)48-49(52-46-19-9-8-18-45(46)51-48)43-29-28-38(39-14-4-5-15-40(39)43)34-22-24-35(25-23-34)44-31-37-13-10-30-50-47(37)42-17-7-6-16-41(42)44/h1-31H
InChIKeyDRJLQHRUYPVKTP-UHFFFAOYSA-N
MW661.81 g/mol
LogP12.82
Rot. Bonds5

About 6-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline

6-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline (PubChem CID 147415127) has the molecular formula C49H31N3 and a molecular weight of 661.81 g/mol. Its IUPAC name is 6-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline.

Molecular Properties

Compound Name6-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline
PubChem CID147415127
Molecular FormulaC49H31N3
Molecular Weight661.81 g/mol
Exact Mass661.25
IUPAC Name6-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline
SMILESc1ccc(-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4ccc(-c5cc6cccnc6c6ccccc56)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C49H31N3/c1-2-11-32(12-3-1)33-20-26-36(27-21-33)48-49(52-46-19-9-8-18-45(46)51-48)43-29-28-38(39-14-4-5-15-40(39)43)34-22-24-35(25-23-34)44-31-37-13-10-30-50-47(37)42-17-7-6-16-41(42)44/h1-31H
InChIKeyDRJLQHRUYPVKTP-UHFFFAOYSA-N
XLogP12.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.81
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline
CID 155792487
6-[4-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 152916568
6-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzo[h]quinoline
CID 149456781
6-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzo[h]quinoline
CID 148799721
6-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[h]quinoline
CID 152931593
2-[4-(4-benzo[h]quinolin-6-ylphenyl)phenyl]-4-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 155792495
6-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 135199013
2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 176785197
5-[4-[3,5-bis[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 121460993
6-[4-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]benzo[h]quinoline
CID 147418252
6-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline;7-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline;3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenanthridine
CID 158599286
6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine
CID 146231062

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline?
The IUPAC name of 6-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline (CID 147415127) is 6-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline.
What is the SMILES notation for 6-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline?
The canonical SMILES for 6-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline is c1ccc(-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4ccc(-c5cc6cccnc6c6ccccc56)cc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 6-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline?
The InChIKey is DRJLQHRUYPVKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3/c1-2-11-32(12-3-1)33-20-26-36(27-21-33)48-49(52-46-19-9-8-18-45(46)51-48)43-29-28-38(39-14-4-5-15-40(39)43)34-22-24-35(25-23-34)44-31-37-13-10-30-50-47(37)42-17-7-6-16-41(42)44/h1-31H.
What are the key properties of 6-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline?
6-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline has a molecular weight of 661.81 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline is sourced from PubChem (CID 147415127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).