7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline

C34H20N2O — CID 122471874

IUPAC7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline
SMILESc1cnc2c(c1)ccc1c(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)nc3ccccc3c12
InChIInChI=1S/C34H20N2O/c1-3-9-29-26(8-1)32-27(17-15-22-6-5-19-35-34(22)32)33(36-29)23-13-11-21(12-14-23)24-16-18-31-28(20-24)25-7-2-4-10-30(25)37-31/h1-20H
InChIKeyWYTZSIUDMSXZAN-UHFFFAOYSA-N
MW472.55 g/mol
LogP9.17
Rot. Bonds2

About 7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline

7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline (PubChem CID 122471874) has the molecular formula C34H20N2O and a molecular weight of 472.55 g/mol. Its IUPAC name is 7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline.

Molecular Properties

Compound Name7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline
PubChem CID122471874
Molecular FormulaC34H20N2O
Molecular Weight472.55 g/mol
Exact Mass472.16
IUPAC Name7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline
SMILESc1cnc2c(c1)ccc1c(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)nc3ccccc3c12
InChIInChI=1S/C34H20N2O/c1-3-9-29-26(8-1)32-27(17-15-22-6-5-19-35-34(22)32)33(36-29)23-13-11-21(12-14-23)24-16-18-31-28(20-24)25-7-2-4-10-30(25)37-31/h1-20H
InChIKeyWYTZSIUDMSXZAN-UHFFFAOYSA-N
XLogP9.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 59.17
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

7-(4-dibenzofuran-4-ylphenyl)benzo[k][1,8]phenanthroline
CID 122471900
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[k][1,8]phenanthroline
CID 122471965
15-[4-(3-pyridin-4-ylphenyl)phenyl]-4,16-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 129037664
14-[3-(1,10-phenanthrolin-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-[2-(4-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-(2-phenylquinazolin-4-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene;14-[3-[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 157086605
14-[3-[7-(1,10-phenanthrolin-5-yl)triphenylen-2-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 146231171
2-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)phenazine
CID 166041138
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaene
CID 163953072
10-(4-diphenylphosphorylphenyl)-7-phenylbenzo[k][1,8]phenanthroline
CID 122471916
14-phenyl-7-(3-phenylquinolin-7-yl)-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 166009728
10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline
CID 146301042
14-[4-[5-(1,10-phenanthrolin-5-yl)pyrimidin-2-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 146231263
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-dibenzofuran-2-yl-N-[4-(8-phenyl-1,7-naphthyridin-6-yl)phenyl]aniline
CID 171463436

Frequently Asked Questions

What is the IUPAC name of 7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline?
The IUPAC name of 7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline (CID 122471874) is 7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline.
What is the SMILES notation for 7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline?
The canonical SMILES for 7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline is c1cnc2c(c1)ccc1c(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)nc3ccccc3c12.
What is the InChIKey of 7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline?
The InChIKey is WYTZSIUDMSXZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2O/c1-3-9-29-26(8-1)32-27(17-15-22-6-5-19-35-34(22)32)33(36-29)23-13-11-21(12-14-23)24-16-18-31-28(20-24)25-7-2-4-10-30(25)37-31/h1-20H.
What are the key properties of 7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline?
7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline has a molecular weight of 472.55 g/mol, XLogP of 9.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-dibenzofuran-2-ylphenyl)benzo[k][1,8]phenanthroline is sourced from PubChem (CID 122471874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).