2-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline

C44H26N2O — CID 134559717

IUPAC2-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline
SMILESc1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4ccc5cc(-c6cccc7c6oc6ccccc67)ccc5c4)nc23)cc1
InChIInChI=1S/C44H26N2O/c1-2-9-27(10-3-1)41-36-12-4-6-15-39(36)46-43-37(41)23-21-28-22-24-38(45-42(28)43)32-20-18-29-25-31(19-17-30(29)26-32)33-13-8-14-35-34-11-5-7-16-40(34)47-44(33)35/h1-26H
InChIKeyNKVKREBFCPHFHC-UHFFFAOYSA-N
MW598.71 g/mol
LogP11.99
Rot. Bonds3

About 2-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline

2-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline (PubChem CID 134559717) has the molecular formula C44H26N2O and a molecular weight of 598.71 g/mol. Its IUPAC name is 2-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name2-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline
PubChem CID134559717
Molecular FormulaC44H26N2O
Molecular Weight598.71 g/mol
Exact Mass598.20
IUPAC Name2-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline
SMILESc1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4ccc5cc(-c6cccc7c6oc6ccccc67)ccc5c4)nc23)cc1
InChIInChI=1S/C44H26N2O/c1-2-9-27(10-3-1)41-36-12-4-6-15-39(36)46-43-37(41)23-21-28-22-24-38(45-42(28)43)32-20-18-29-25-31(19-17-30(29)26-32)33-13-8-14-35-34-11-5-7-16-40(34)47-44(33)35/h1-26H
InChIKeyNKVKREBFCPHFHC-UHFFFAOYSA-N
XLogP11.99
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.71
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(4-dibenzofuran-4-ylphenyl)-7-phenylbenzo[b][1,10]phenanthroline
CID 134559623
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 143811483
4-dibenzofuran-4-yl-9-phenyl-2-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 90050330
2-phenyl-7-[6-(9-phenyl-1,10-phenanthrolin-2-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 139446000
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445819
2-(4-dibenzofuran-4-ylphenyl)-4,9-diphenylpyrido[3,2-h]quinazoline
CID 156574256
2-dibenzofuran-4-yl-9-[3-(2,3-diphenylquinoxalin-6-yl)phenyl]-1,10-phenanthroline
CID 176785300
2-(3-dibenzofuran-4-ylphenyl)-6,11-diphenylphenanthro[9,10-b]pyridine
CID 89369609
2-(3-dibenzofuran-4-ylphenyl)-9-fluoranthen-3-yl-1,10-phenanthroline
CID 90049811
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
7-phenyl-2-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 134559520
3-[3-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063442

Frequently Asked Questions

What is the IUPAC name of 2-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline?
The IUPAC name of 2-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline (CID 134559717) is 2-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline.
What is the SMILES notation for 2-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline?
The canonical SMILES for 2-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline is c1ccc(-c2c3ccccc3nc3c2ccc2ccc(-c4ccc5cc(-c6cccc7c6oc6ccccc67)ccc5c4)nc23)cc1.
What is the InChIKey of 2-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline?
The InChIKey is NKVKREBFCPHFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2O/c1-2-9-27(10-3-1)41-36-12-4-6-15-39(36)46-43-37(41)23-21-28-22-24-38(45-42(28)43)32-20-18-29-25-31(19-17-30(29)26-32)33-13-8-14-35-34-11-5-7-16-40(34)47-44(33)35/h1-26H.
What are the key properties of 2-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline?
2-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline has a molecular weight of 598.71 g/mol, XLogP of 11.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-dibenzofuran-4-ylnaphthalen-2-yl)-7-phenylbenzo[b][1,10]phenanthroline is sourced from PubChem (CID 134559717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).