2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline

C38H24N4 — CID 176785197

IUPAC2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)cc2)cc1
InChIInChI=1S/C38H24N4/c1-2-7-28(8-3-1)37-38(42-34-11-5-4-10-33(34)41-37)30-18-14-26(15-19-30)25-12-16-27(17-13-25)32-23-22-31-21-20-29-9-6-24-39-35(29)36(31)40-32/h1-24H
InChIKeyHSFSYDCQAVZODP-UHFFFAOYSA-N
MW536.64 g/mol
LogP9.39
Rot. Bonds4

About 2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline

2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline (PubChem CID 176785197) has the molecular formula C38H24N4 and a molecular weight of 536.64 g/mol. Its IUPAC name is 2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline
PubChem CID176785197
Molecular FormulaC38H24N4
Molecular Weight536.64 g/mol
Exact Mass536.20
IUPAC Name2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)cc2)cc1
InChIInChI=1S/C38H24N4/c1-2-7-28(8-3-1)37-38(42-34-11-5-4-10-33(34)41-37)30-18-14-26(15-19-30)25-12-16-27(17-13-25)32-23-22-31-21-20-29-9-6-24-39-35(29)36(31)40-32/h1-24H
InChIKeyHSFSYDCQAVZODP-UHFFFAOYSA-N
XLogP9.39
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.64
LogP ≤ 59.39
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-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline
CID 146474012
2-[3-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-1,10-phenanthroline
CID 171732224
2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline
CID 176785086
2-(3-phenylphenyl)-1,10-phenanthroline
CID 118188250
7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559451
2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023081
2-[4-[6-(4-chlorophenyl)-3-phenyl-1,2,4-triazin-5-yl]phenyl]-1,10-phenanthroline
CID 156901494
6-[4-(1,10-phenanthrolin-2-yl)phenyl]-[1]benzofuro[3,2-c]quinoline
CID 129085825
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
CID 121460952
7-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline
CID 155792487
2-(2,3-diphenylquinoxalin-5-yl)-9-phenyl-1,10-phenanthroline
CID 176785134
6-naphthalen-2-yl-8-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665702

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline?
The IUPAC name of 2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline (CID 176785197) is 2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline is c1ccc(-c2nc3ccccc3nc2-c2ccc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline?
The InChIKey is HSFSYDCQAVZODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4/c1-2-7-28(8-3-1)37-38(42-34-11-5-4-10-33(34)41-37)30-18-14-26(15-19-30)25-12-16-27(17-13-25)32-23-22-31-21-20-29-9-6-24-39-35(29)36(31)40-32/h1-24H.
What are the key properties of 2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline?
2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline has a molecular weight of 536.64 g/mol, XLogP of 9.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline is sourced from PubChem (CID 176785197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).