7-N-dibenzofuran-2-yl-2-N,7-N-bis(4-fluorophenyl)-2-N-(2-phenyl-1,3-benzoxazol-6-yl)phenanthrene-2,7-diamine

C51H31F2N3O2 — CID 171736374

IUPAC7-N-dibenzofuran-2-yl-2-N,7-N-bis(4-fluorophenyl)-2-N-(2-phenyl-1,3-benzoxazol-6-yl)phenanthrene-2,7-diamine
SMILESFc1ccc(N(c2ccc3c(ccc4cc(N(c5ccc(F)cc5)c5ccc6oc7ccccc7c6c5)ccc43)c2)c2ccc3nc(-c4ccccc4)oc3c2)cc1
InChIInChI=1S/C51H31F2N3O2/c52-35-12-16-37(17-13-35)55(41-23-27-49-46(30-41)45-8-4-5-9-48(45)57-49)39-20-24-43-33(28-39)10-11-34-29-40(21-25-44(34)43)56(38-18-14-36(53)15-19-38)42-22-26-47-50(31-42)58-51(54-47)32-6-2-1-3-7-32/h1-31H
InChIKeyJHZQRLUMNHITNB-UHFFFAOYSA-N
MW755.82 g/mol
LogP14.92
Rot. Bonds7

About 7-N-dibenzofuran-2-yl-2-N,7-N-bis(4-fluorophenyl)-2-N-(2-phenyl-1,3-benzoxazol-6-yl)phenanthrene-2,7-diamine

7-N-dibenzofuran-2-yl-2-N,7-N-bis(4-fluorophenyl)-2-N-(2-phenyl-1,3-benzoxazol-6-yl)phenanthrene-2,7-diamine (PubChem CID 171736374) has the molecular formula C51H31F2N3O2 and a molecular weight of 755.82 g/mol. Its IUPAC name is 7-N-dibenzofuran-2-yl-2-N,7-N-bis(4-fluorophenyl)-2-N-(2-phenyl-1,3-benzoxazol-6-yl)phenanthrene-2,7-diamine.

Molecular Properties

Compound Name7-N-dibenzofuran-2-yl-2-N,7-N-bis(4-fluorophenyl)-2-N-(2-phenyl-1,3-benzoxazol-6-yl)phenanthrene-2,7-diamine
PubChem CID171736374
Molecular FormulaC51H31F2N3O2
Molecular Weight755.82 g/mol
Exact Mass755.24
IUPAC Name7-N-dibenzofuran-2-yl-2-N,7-N-bis(4-fluorophenyl)-2-N-(2-phenyl-1,3-benzoxazol-6-yl)phenanthrene-2,7-diamine
SMILESFc1ccc(N(c2ccc3c(ccc4cc(N(c5ccc(F)cc5)c5ccc6oc7ccccc7c6c5)ccc43)c2)c2ccc3nc(-c4ccccc4)oc3c2)cc1
InChIInChI=1S/C51H31F2N3O2/c52-35-12-16-37(17-13-35)55(41-23-27-49-46(30-41)45-8-4-5-9-48(45)57-49)39-20-24-43-33(28-39)10-11-34-29-40(21-25-44(34)43)56(38-18-14-36(53)15-19-38)42-22-26-47-50(31-42)58-51(54-47)32-6-2-1-3-7-32/h1-31H
InChIKeyJHZQRLUMNHITNB-UHFFFAOYSA-N
XLogP14.92
TPSA45.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.82
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-N-dibenzofuran-2-yl-2-N,7-N-bis(4-phenylphenyl)phenanthrene-2,7-diamine
CID 171736391
N-dibenzofuran-2-yl-N-phenanthren-2-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 169053168
N,N-bis[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]dibenzofuran-3-amine
CID 170716713
N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167124585
N-dibenzofuran-2-yl-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 168742999
N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123462
N,N-di(dibenzofuran-2-yl)-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-amine
CID 167123459
N-phenanthren-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123128
N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;hydride
CID 163563269
N-(4-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 177119768
N,N-di(dibenzofuran-3-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167125004
N-phenanthren-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128562

Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzofuran-2-yl-2-N,7-N-bis(4-fluorophenyl)-2-N-(2-phenyl-1,3-benzoxazol-6-yl)phenanthrene-2,7-diamine?
The IUPAC name of 7-N-dibenzofuran-2-yl-2-N,7-N-bis(4-fluorophenyl)-2-N-(2-phenyl-1,3-benzoxazol-6-yl)phenanthrene-2,7-diamine (CID 171736374) is 7-N-dibenzofuran-2-yl-2-N,7-N-bis(4-fluorophenyl)-2-N-(2-phenyl-1,3-benzoxazol-6-yl)phenanthrene-2,7-diamine.
What is the SMILES notation for 7-N-dibenzofuran-2-yl-2-N,7-N-bis(4-fluorophenyl)-2-N-(2-phenyl-1,3-benzoxazol-6-yl)phenanthrene-2,7-diamine?
The canonical SMILES for 7-N-dibenzofuran-2-yl-2-N,7-N-bis(4-fluorophenyl)-2-N-(2-phenyl-1,3-benzoxazol-6-yl)phenanthrene-2,7-diamine is Fc1ccc(N(c2ccc3c(ccc4cc(N(c5ccc(F)cc5)c5ccc6oc7ccccc7c6c5)ccc43)c2)c2ccc3nc(-c4ccccc4)oc3c2)cc1.
What is the InChIKey of 7-N-dibenzofuran-2-yl-2-N,7-N-bis(4-fluorophenyl)-2-N-(2-phenyl-1,3-benzoxazol-6-yl)phenanthrene-2,7-diamine?
The InChIKey is JHZQRLUMNHITNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31F2N3O2/c52-35-12-16-37(17-13-35)55(41-23-27-49-46(30-41)45-8-4-5-9-48(45)57-49)39-20-24-43-33(28-39)10-11-34-29-40(21-25-44(34)43)56(38-18-14-36(53)15-19-38)42-22-26-47-50(31-42)58-51(54-47)32-6-2-1-3-7-32/h1-31H.
What are the key properties of 7-N-dibenzofuran-2-yl-2-N,7-N-bis(4-fluorophenyl)-2-N-(2-phenyl-1,3-benzoxazol-6-yl)phenanthrene-2,7-diamine?
7-N-dibenzofuran-2-yl-2-N,7-N-bis(4-fluorophenyl)-2-N-(2-phenyl-1,3-benzoxazol-6-yl)phenanthrene-2,7-diamine has a molecular weight of 755.82 g/mol, XLogP of 14.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-dibenzofuran-2-yl-2-N,7-N-bis(4-fluorophenyl)-2-N-(2-phenyl-1,3-benzoxazol-6-yl)phenanthrene-2,7-diamine is sourced from PubChem (CID 171736374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).