2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline

C44H28N4 — CID 176785086

IUPAC2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc(-c3nc4ccc(-c5ccc6ccc7ccc(-c8ccccc8)nc7c6n5)cc4nc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C44H28N4/c1-4-10-29(11-5-1)30-16-18-33(19-17-30)44-41(32-14-8-3-9-15-32)48-40-28-36(24-27-39(40)47-44)38-26-23-35-21-20-34-22-25-37(31-12-6-2-7-13-31)45-42(34)43(35)46-38/h1-28H
InChIKeyWAWDYJDJZXKHKX-UHFFFAOYSA-N
MW612.74 g/mol
LogP11.06
Rot. Bonds5

About 2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline

2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline (PubChem CID 176785086) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline
PubChem CID176785086
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc(-c3nc4ccc(-c5ccc6ccc7ccc(-c8ccccc8)nc7c6n5)cc4nc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C44H28N4/c1-4-10-29(11-5-1)30-16-18-33(19-17-30)44-41(32-14-8-3-9-15-32)48-40-28-36(24-27-39(40)47-44)38-26-23-35-21-20-34-22-25-37(31-12-6-2-7-13-31)45-42(34)43(35)46-38/h1-28H
InChIKeyWAWDYJDJZXKHKX-UHFFFAOYSA-N
XLogP11.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 176785197
6,15-diphenyl-20-(9-phenyl-1,10-phenanthrolin-2-yl)-2,5,16-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20-undecaene
CID 170198126
2-phenyl-9-[3-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 138725055
2-phenyl-9-[3-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-1,10-phenanthroline
CID 138725062
2-phenyl-9-[4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010455
6,15,19-triphenyl-2,5,16-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20-undecaene
CID 170198117
2-phenyl-9-[6-phenyl-10-(4-phenylphenyl)phenanthridin-2-yl]-1,10-phenanthroline
CID 146548655
2-dibenzofuran-4-yl-9-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-1,10-phenanthroline
CID 176785300
2-(2,3-diphenylquinoxalin-5-yl)-9-(3-phenylphenyl)-1,10-phenanthroline
CID 176785222
2-phenyl-9-[4-[4-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 134596728
2-(2,4-diphenylquinazolin-6-yl)-9-(3-phenylphenyl)-1,10-phenanthroline
CID 176785083
2-phenyl-9-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline
CID 134596769

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline?
The IUPAC name of 2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline (CID 176785086) is 2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline?
The canonical SMILES for 2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline is c1ccc(-c2ccc(-c3nc4ccc(-c5ccc6ccc7ccc(-c8ccccc8)nc7c6n5)cc4nc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline?
The InChIKey is WAWDYJDJZXKHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c1-4-10-29(11-5-1)30-16-18-33(19-17-30)44-41(32-14-8-3-9-15-32)48-40-28-36(24-27-39(40)47-44)38-26-23-35-21-20-34-22-25-37(31-12-6-2-7-13-31)45-42(34)43(35)46-38/h1-28H.
What are the key properties of 2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline?
2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline has a molecular weight of 612.74 g/mol, XLogP of 11.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline is sourced from PubChem (CID 176785086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).