7-phenylbenzo[f][4,7]phenanthroline

C22H14N2 — CID 169052915

IUPAC7-phenylbenzo[f][4,7]phenanthroline
SMILESc1ccc(-c2ccc3c4cccnc4c4ccccc4c3n2)cc1
InChIInChI=1S/C22H14N2/c1-2-7-15(8-3-1)20-13-12-19-17-11-6-14-23-21(17)16-9-4-5-10-18(16)22(19)24-20/h1-14H
InChIKeyXMIBDUAYQOHLSC-UHFFFAOYSA-N
MW306.37 g/mol
LogP5.60
Rot. Bonds1

About 7-phenylbenzo[f][4,7]phenanthroline

7-phenylbenzo[f][4,7]phenanthroline (PubChem CID 169052915) has the molecular formula C22H14N2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 7-phenylbenzo[f][4,7]phenanthroline.

Molecular Properties

Compound Name7-phenylbenzo[f][4,7]phenanthroline
PubChem CID169052915
Molecular FormulaC22H14N2
Molecular Weight306.37 g/mol
Exact Mass306.12
IUPAC Name7-phenylbenzo[f][4,7]phenanthroline
SMILESc1ccc(-c2ccc3c4cccnc4c4ccccc4c3n2)cc1
InChIInChI=1S/C22H14N2/c1-2-7-15(8-3-1)20-13-12-19-17-11-6-14-23-21(17)16-9-4-5-10-18(16)22(19)24-20/h1-14H
InChIKeyXMIBDUAYQOHLSC-UHFFFAOYSA-N
XLogP5.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.37
LogP ≤ 55.60
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

11-[7-(3-benzo[h]quinolin-2-yl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-6-phenylpyrido[2,3-f][4,7]phenanthroline
CID 139407490
7-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]benzo[f][4,7]phenanthroline
CID 90378842
2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline
CID 146474012
iridium;2-phenylbenzo[h]quinoline
CID 175438986
7-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559451
2-phenyl-1,7-phenanthroline-6-sulfonic acid
CID 154222827
4,7-bis(6-phenyl-2-pyridinyl)-1,10-phenanthroline
CID 121420323
2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 171732044
2-phenyl-4-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]-1,10-phenanthroline
CID 155006745
7-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline;7-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]benzo[b][1,10]phenanthroline;2-phenyl-7-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]benzo[b][1,10]phenanthroline
CID 160566107
12-[4-(1,10-phenanthrolin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90324556
11-(4-dibenzofuran-2-ylphenyl)benzo[f][1,10]phenanthroline
CID 90049940

Frequently Asked Questions

What is the IUPAC name of 7-phenylbenzo[f][4,7]phenanthroline?
The IUPAC name of 7-phenylbenzo[f][4,7]phenanthroline (CID 169052915) is 7-phenylbenzo[f][4,7]phenanthroline.
What is the SMILES notation for 7-phenylbenzo[f][4,7]phenanthroline?
The canonical SMILES for 7-phenylbenzo[f][4,7]phenanthroline is c1ccc(-c2ccc3c4cccnc4c4ccccc4c3n2)cc1.
What is the InChIKey of 7-phenylbenzo[f][4,7]phenanthroline?
The InChIKey is XMIBDUAYQOHLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2/c1-2-7-15(8-3-1)20-13-12-19-17-11-6-14-23-21(17)16-9-4-5-10-18(16)22(19)24-20/h1-14H.
What are the key properties of 7-phenylbenzo[f][4,7]phenanthroline?
7-phenylbenzo[f][4,7]phenanthroline has a molecular weight of 306.37 g/mol, XLogP of 5.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylbenzo[f][4,7]phenanthroline is sourced from PubChem (CID 169052915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).