7-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline

C49H31N3 — CID 155792487

IUPAC7-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline
SMILESc1ccc(-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4ccc(-c5cccc6c5ccc5cccnc56)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C49H31N3/c1-2-10-32(11-3-1)33-19-25-37(26-20-33)48-49(52-46-18-7-6-17-45(46)51-48)44-30-29-39(40-13-4-5-14-41(40)44)35-23-21-34(22-24-35)38-15-8-16-43-42(38)28-27-36-12-9-31-50-47(36)43/h1-31H
InChIKeyBJCDZPASUZSXLF-UHFFFAOYSA-N
MW661.81 g/mol
LogP12.82
Rot. Bonds5

About 7-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline

7-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline (PubChem CID 155792487) has the molecular formula C49H31N3 and a molecular weight of 661.81 g/mol. Its IUPAC name is 7-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline.

Molecular Properties

Compound Name7-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline
PubChem CID155792487
Molecular FormulaC49H31N3
Molecular Weight661.81 g/mol
Exact Mass661.25
IUPAC Name7-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline
SMILESc1ccc(-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4ccc(-c5cccc6c5ccc5cccnc56)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C49H31N3/c1-2-10-32(11-3-1)33-19-25-37(26-20-33)48-49(52-46-18-7-6-17-45(46)51-48)44-30-29-39(40-13-4-5-14-41(40)44)35-23-21-34(22-24-35)38-15-8-16-43-42(38)28-27-36-12-9-31-50-47(36)43/h1-31H
InChIKeyBJCDZPASUZSXLF-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

6-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline
CID 147415127
7-(3,5-diphenylphenyl)benzo[h]quinoline
CID 140719025
7-[3-[3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 153156483
7-[4-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline
CID 152912532
7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[h]quinoline
CID 155792694
2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 176785197
7-(4-dibenzofuran-4-ylphenyl)benzo[k][1,8]phenanthroline
CID 122471900
2-[5-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]-9-pyridin-2-yl-1,10-phenanthroline
CID 171732099
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-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 152916568
6-(4-quinolin-8-ylphenyl)phenanthridin-10-ol
CID 146549143
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline;8-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 159550988

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline?
The IUPAC name of 7-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline (CID 155792487) is 7-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline.
What is the SMILES notation for 7-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline?
The canonical SMILES for 7-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline is c1ccc(-c2ccc(-c3nc4ccccc4nc3-c3ccc(-c4ccc(-c5cccc6c5ccc5cccnc56)cc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 7-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline?
The InChIKey is BJCDZPASUZSXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3/c1-2-10-32(11-3-1)33-19-25-37(26-20-33)48-49(52-46-18-7-6-17-45(46)51-48)44-30-29-39(40-13-4-5-14-41(40)44)35-23-21-34(22-24-35)38-15-8-16-43-42(38)28-27-36-12-9-31-50-47(36)43/h1-31H.
What are the key properties of 7-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline?
7-[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 7-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline is sourced from PubChem (CID 155792487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).