5-(4-tert-butylphenyl)-2-(4-phenylphenyl)-1,10-phenanthroline

C34H28N2 — CID 175588713

IUPAC5-(4-tert-butylphenyl)-2-(4-phenylphenyl)-1,10-phenanthroline
SMILESCC(C)(C)c1ccc(-c2cc3cccnc3c3nc(-c4ccc(-c5ccccc5)cc4)ccc23)cc1
InChIInChI=1S/C34H28N2/c1-34(2,3)28-17-15-25(16-18-28)30-22-27-10-7-21-35-32(27)33-29(30)19-20-31(36-33)26-13-11-24(12-14-26)23-8-5-4-6-9-23/h4-22H,1-3H3
InChIKeyIHQIABRVEGELJT-UHFFFAOYSA-N
MW464.61 g/mol
LogP9.08
Rot. Bonds3

About 5-(4-tert-butylphenyl)-2-(4-phenylphenyl)-1,10-phenanthroline

5-(4-tert-butylphenyl)-2-(4-phenylphenyl)-1,10-phenanthroline (PubChem CID 175588713) has the molecular formula C34H28N2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-2-(4-phenylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-2-(4-phenylphenyl)-1,10-phenanthroline
PubChem CID175588713
Molecular FormulaC34H28N2
Molecular Weight464.61 g/mol
Exact Mass464.23
IUPAC Name5-(4-tert-butylphenyl)-2-(4-phenylphenyl)-1,10-phenanthroline
SMILESCC(C)(C)c1ccc(-c2cc3cccnc3c3nc(-c4ccc(-c5ccccc5)cc4)ccc23)cc1
InChIInChI=1S/C34H28N2/c1-34(2,3)28-17-15-25(16-18-28)30-22-27-10-7-21-35-32(27)33-29(30)19-20-31(36-33)26-13-11-24(12-14-26)23-8-5-4-6-9-23/h4-22H,1-3H3
InChIKeyIHQIABRVEGELJT-UHFFFAOYSA-N
XLogP9.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,7-bis(4-tert-butylphenyl)-2,9-bis(4-phenylphenyl)-1,10-phenanthroline
CID 70909450
2-phenyl-4-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]-1,10-phenanthroline
CID 155006745
4-phenyl-2-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline
CID 165168213
5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780633
6-phenyl-2-(4-pyren-1-ylphenyl)-1,10-phenanthroline
CID 118861981
2-phenyl-4-[3-phenyl-5-[3-phenyl-5-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]phenyl]-1,10-phenanthroline
CID 167110208
2,9-bis(4-phenylphenyl)-4,7-bis(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 68745888
2-(6-benzo[g]quinolin-2-ylquinolin-2-yl)-5-phenyl-1,10-phenanthroline
CID 139363999
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
4-[4-[4-[3,5-bis(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenyl-1,10-phenanthroline
CID 155336923
9-[4-(7,9-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-2,4-diphenyl-1,10-phenanthroline
CID 59736484
2-(4-tert-butylphenyl)-10-[2-(4-tert-butylphenyl)-4-phenylbenzo[g]quinolin-10-yl]-4-phenylbenzo[g]quinoline
CID 177454464

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-2-(4-phenylphenyl)-1,10-phenanthroline?
The IUPAC name of 5-(4-tert-butylphenyl)-2-(4-phenylphenyl)-1,10-phenanthroline (CID 175588713) is 5-(4-tert-butylphenyl)-2-(4-phenylphenyl)-1,10-phenanthroline.
What is the SMILES notation for 5-(4-tert-butylphenyl)-2-(4-phenylphenyl)-1,10-phenanthroline?
The canonical SMILES for 5-(4-tert-butylphenyl)-2-(4-phenylphenyl)-1,10-phenanthroline is CC(C)(C)c1ccc(-c2cc3cccnc3c3nc(-c4ccc(-c5ccccc5)cc4)ccc23)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-2-(4-phenylphenyl)-1,10-phenanthroline?
The InChIKey is IHQIABRVEGELJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2/c1-34(2,3)28-17-15-25(16-18-28)30-22-27-10-7-21-35-32(27)33-29(30)19-20-31(36-33)26-13-11-24(12-14-26)23-8-5-4-6-9-23/h4-22H,1-3H3.
What are the key properties of 5-(4-tert-butylphenyl)-2-(4-phenylphenyl)-1,10-phenanthroline?
5-(4-tert-butylphenyl)-2-(4-phenylphenyl)-1,10-phenanthroline has a molecular weight of 464.61 g/mol, XLogP of 9.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-2-(4-phenylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 175588713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).