4,7-diphenyl-2-quinolin-2-yl-1,10-phenanthroline

C33H21N3 — CID 70909452

IUPAC4,7-diphenyl-2-quinolin-2-yl-1,10-phenanthroline
SMILESc1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)cc(-c4ccc5ccccc5n4)nc23)cc1
InChIInChI=1S/C33H21N3/c1-3-9-22(10-4-1)25-19-20-34-32-26(25)16-17-27-28(23-11-5-2-6-12-23)21-31(36-33(27)32)30-18-15-24-13-7-8-14-29(24)35-30/h1-21H
InChIKeyLPXBSQRZAHIUGU-UHFFFAOYSA-N
MW459.55 g/mol
LogP8.33
Rot. Bonds3

About 4,7-diphenyl-2-quinolin-2-yl-1,10-phenanthroline

4,7-diphenyl-2-quinolin-2-yl-1,10-phenanthroline (PubChem CID 70909452) has the molecular formula C33H21N3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 4,7-diphenyl-2-quinolin-2-yl-1,10-phenanthroline.

Molecular Properties

Compound Name4,7-diphenyl-2-quinolin-2-yl-1,10-phenanthroline
PubChem CID70909452
Molecular FormulaC33H21N3
Molecular Weight459.55 g/mol
Exact Mass459.17
IUPAC Name4,7-diphenyl-2-quinolin-2-yl-1,10-phenanthroline
SMILESc1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)cc(-c4ccc5ccccc5n4)nc23)cc1
InChIInChI=1S/C33H21N3/c1-3-9-22(10-4-1)25-19-20-34-32-26(25)16-17-27-28(23-11-5-2-6-12-23)21-31(36-33(27)32)30-18-15-24-13-7-8-14-29(24)35-30/h1-21H
InChIKeyLPXBSQRZAHIUGU-UHFFFAOYSA-N
XLogP8.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 58.33
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

4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-1,10-phenanthroline;4-[4-[3,5-bis(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-2-phenyl-1,10-phenanthroline
CID 160846068
2-naphthalen-1-yl-4,7-di(quinolin-2-yl)-1,10-phenanthroline
CID 163663033
4-[4-[7-[7-(3,5-diphenylphenyl)quinolin-2-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164779323
4-[7-[2-[4-(1,10-phenanthrolin-4-yl)phenyl]quinolin-6-yl]quinolin-2-yl]-1,10-phenanthroline;2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]phenyl]-9-phenyl-1,10-phenanthroline
CID 165088310
4,7-bis(4-isoquinolin-3-ylphenyl)-2-phenyl-1,10-phenanthroline
CID 144839385
2-(6-benzo[g]quinolin-2-ylquinolin-2-yl)-5-phenyl-1,10-phenanthroline
CID 139363999
2-phenyl-4-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]-1,10-phenanthroline
CID 155006745
4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride
CID 21087820
2-(6-methylnaphthalen-2-yl)-4,7-diphenyl-1,10-phenanthroline
CID 58813339
2-[6-(1,10-phenanthrolin-5-yl)quinolin-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445845
4-[4-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)quinolin-7-yl]quinolin-7-yl]phenyl]-1,10-phenanthroline
CID 163509386
tris(4,7-diphenyl-1,10-phenanthroline);hydride;ruthenium;dichloride
CID 173290116

Frequently Asked Questions

What is the IUPAC name of 4,7-diphenyl-2-quinolin-2-yl-1,10-phenanthroline?
The IUPAC name of 4,7-diphenyl-2-quinolin-2-yl-1,10-phenanthroline (CID 70909452) is 4,7-diphenyl-2-quinolin-2-yl-1,10-phenanthroline.
What is the SMILES notation for 4,7-diphenyl-2-quinolin-2-yl-1,10-phenanthroline?
The canonical SMILES for 4,7-diphenyl-2-quinolin-2-yl-1,10-phenanthroline is c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)cc(-c4ccc5ccccc5n4)nc23)cc1.
What is the InChIKey of 4,7-diphenyl-2-quinolin-2-yl-1,10-phenanthroline?
The InChIKey is LPXBSQRZAHIUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3/c1-3-9-22(10-4-1)25-19-20-34-32-26(25)16-17-27-28(23-11-5-2-6-12-23)21-31(36-33(27)32)30-18-15-24-13-7-8-14-29(24)35-30/h1-21H.
What are the key properties of 4,7-diphenyl-2-quinolin-2-yl-1,10-phenanthroline?
4,7-diphenyl-2-quinolin-2-yl-1,10-phenanthroline has a molecular weight of 459.55 g/mol, XLogP of 8.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diphenyl-2-quinolin-2-yl-1,10-phenanthroline is sourced from PubChem (CID 70909452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).