N,2,7-triphenyl-N-(10-phenylphenanthren-3-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine

C53H34N2O — CID 177112662

IUPACN,2,7-triphenyl-N-(10-phenylphenanthren-3-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2nc3ccc4cc(-c5ccccc5)c5ccc(N(c6ccccc6)c6ccc7c(-c8ccccc8)cc8ccccc8c7c6)cc5c4c3o2)cc1
InChIInChI=1S/C53H34N2O/c1-5-15-35(16-6-1)46-31-38-21-13-14-24-43(38)48-33-41(26-28-44(46)48)55(40-22-11-4-12-23-40)42-27-29-45-47(36-17-7-2-8-18-36)32-39-25-30-50-52(51(39)49(45)34-42)56-53(54-50)37-19-9-3-10-20-37/h1-34H
InChIKeyPTNAUIBMLSIURG-UHFFFAOYSA-N
MW714.87 g/mol
LogP14.91
Rot. Bonds6

About N,2,7-triphenyl-N-(10-phenylphenanthren-3-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine

N,2,7-triphenyl-N-(10-phenylphenanthren-3-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine (PubChem CID 177112662) has the molecular formula C53H34N2O and a molecular weight of 714.87 g/mol. Its IUPAC name is N,2,7-triphenyl-N-(10-phenylphenanthren-3-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine.

Molecular Properties

Compound NameN,2,7-triphenyl-N-(10-phenylphenanthren-3-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
PubChem CID177112662
Molecular FormulaC53H34N2O
Molecular Weight714.87 g/mol
Exact Mass714.27
IUPAC NameN,2,7-triphenyl-N-(10-phenylphenanthren-3-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2nc3ccc4cc(-c5ccccc5)c5ccc(N(c6ccccc6)c6ccc7c(-c8ccccc8)cc8ccccc8c7c6)cc5c4c3o2)cc1
InChIInChI=1S/C53H34N2O/c1-5-15-35(16-6-1)46-31-38-21-13-14-24-43(38)48-33-41(26-28-44(46)48)55(40-22-11-4-12-23-40)42-27-29-45-47(36-17-7-2-8-18-36)32-39-25-30-50-52(51(39)49(45)34-42)56-53(54-50)37-19-9-3-10-20-37/h1-34H
InChIKeyPTNAUIBMLSIURG-UHFFFAOYSA-N
XLogP14.91
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,2,7-triphenyl-N-(10-phenylphenanthren-3-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine with MolForge

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112892
N,2,7-triphenyl-N-(3-phenylnaphthalen-1-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112501
N,2-diphenyl-7-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112677
2,7-diphenyl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112808
1-N,1-N,3-N,5-N,5-N-pentakis-phenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3,5-triamine
CID 171417112
N-dibenzofuran-1-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112795
N-dibenzofuran-4-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112985
3-N-naphthalen-2-yl-1-N,1-N-diphenyl-3-N-[3-(N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)anilino)phenyl]benzene-1,3-diamine
CID 171417102
N,2-diphenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743018
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
1-N-[3-(N-naphthalen-1-ylanilino)phenyl]-1-N,3-N-diphenyl-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)benzene-1,3-diamine
CID 171417056
N-dibenzofuran-3-yl-N-naphthalen-1-yl-2,7-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112672

Frequently Asked Questions

What is the IUPAC name of N,2,7-triphenyl-N-(10-phenylphenanthren-3-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
The IUPAC name of N,2,7-triphenyl-N-(10-phenylphenanthren-3-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine (CID 177112662) is N,2,7-triphenyl-N-(10-phenylphenanthren-3-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine.
What is the SMILES notation for N,2,7-triphenyl-N-(10-phenylphenanthren-3-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
The canonical SMILES for N,2,7-triphenyl-N-(10-phenylphenanthren-3-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine is c1ccc(-c2nc3ccc4cc(-c5ccccc5)c5ccc(N(c6ccccc6)c6ccc7c(-c8ccccc8)cc8ccccc8c7c6)cc5c4c3o2)cc1.
What is the InChIKey of N,2,7-triphenyl-N-(10-phenylphenanthren-3-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
The InChIKey is PTNAUIBMLSIURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O/c1-5-15-35(16-6-1)46-31-38-21-13-14-24-43(38)48-33-41(26-28-44(46)48)55(40-22-11-4-12-23-40)42-27-29-45-47(36-17-7-2-8-18-36)32-39-25-30-50-52(51(39)49(45)34-42)56-53(54-50)37-19-9-3-10-20-37/h1-34H.
What are the key properties of N,2,7-triphenyl-N-(10-phenylphenanthren-3-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
N,2,7-triphenyl-N-(10-phenylphenanthren-3-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine has a molecular weight of 714.87 g/mol, XLogP of 14.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,7-triphenyl-N-(10-phenylphenanthren-3-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine is sourced from PubChem (CID 177112662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).