N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine

C51H32N2O2 — CID 167124665

IUPACN-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)oc4ccc6nc(-c7ccccc7)oc6c45)cc3)c3ccc4c(ccc5ccccc54)c3)c2)cc1
InChIInChI=1S/C51H32N2O2/c1-3-10-33(11-4-1)37-15-9-16-41(30-37)53(42-25-27-44-39(31-42)19-18-35-12-7-8-17-43(35)44)40-23-20-34(21-24-40)38-22-26-45-48(32-38)54-47-29-28-46-50(49(45)47)55-51(52-46)36-13-5-2-6-14-36/h1-32H
InChIKeyUBONNSGGGRDCPI-UHFFFAOYSA-N
MW704.83 g/mol
LogP14.50
Rot. Bonds6

About N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine

N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine (PubChem CID 167124665) has the molecular formula C51H32N2O2 and a molecular weight of 704.83 g/mol. Its IUPAC name is N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
PubChem CID167124665
Molecular FormulaC51H32N2O2
Molecular Weight704.83 g/mol
Exact Mass704.25
IUPAC NameN-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)oc4ccc6nc(-c7ccccc7)oc6c45)cc3)c3ccc4c(ccc5ccccc54)c3)c2)cc1
InChIInChI=1S/C51H32N2O2/c1-3-10-33(11-4-1)37-15-9-16-41(30-37)53(42-25-27-44-39(31-42)19-18-35-12-7-8-17-43(35)44)40-23-20-34(21-24-40)38-22-26-45-48(32-38)54-47-29-28-46-50(49(45)47)55-51(52-46)36-13-5-2-6-14-36/h1-32H
InChIKeyUBONNSGGGRDCPI-UHFFFAOYSA-N
XLogP14.50
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.83
LogP ≤ 514.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-phenanthren-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167122976
N-phenanthren-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123128
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124553
N-(4-dibenzofuran-3-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743053
N,2-diphenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743018
2-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167124926
N-phenanthren-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-6-amine
CID 167128562
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 167123231
N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 176851647
N-dibenzofuran-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167123885
1-N,3-N-diphenyl-1-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
CID 171417058
N-(4-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 177119768

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine?
The IUPAC name of N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine (CID 167124665) is N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine?
The canonical SMILES for N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)oc4ccc6nc(-c7ccccc7)oc6c45)cc3)c3ccc4c(ccc5ccccc54)c3)c2)cc1.
What is the InChIKey of N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine?
The InChIKey is UBONNSGGGRDCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O2/c1-3-10-33(11-4-1)37-15-9-16-41(30-37)53(42-25-27-44-39(31-42)19-18-35-12-7-8-17-43(35)44)40-23-20-34(21-24-40)38-22-26-45-48(32-38)54-47-29-28-46-50(49(45)47)55-51(52-46)36-13-5-2-6-14-36/h1-32H.
What are the key properties of N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine?
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine has a molecular weight of 704.83 g/mol, XLogP of 14.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine is sourced from PubChem (CID 167124665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).