N,2-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine

C52H32N2O — CID 158673888

IUPACN,2-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2nc3ccc4ccc5ccc(N(c6ccccc6)c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5c4c3o2)cc1
InChIInChI=1S/C52H32N2O/c1-3-13-35(14-4-1)51-53-48-30-26-34-24-23-33-25-27-37(31-43(33)49(34)50(48)55-51)54(36-15-5-2-6-16-36)38-28-29-42-41-19-9-12-22-46(41)52(47(42)32-38)44-20-10-7-17-39(44)40-18-8-11-21-45(40)52/h1-32H
InChIKeyCIRBYMSCDZVPHI-UHFFFAOYSA-N
MW700.84 g/mol
LogP13.61
Rot. Bonds4

About N,2-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine

N,2-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine (PubChem CID 158673888) has the molecular formula C52H32N2O and a molecular weight of 700.84 g/mol. Its IUPAC name is N,2-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine.

Molecular Properties

Compound NameN,2-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
PubChem CID158673888
Molecular FormulaC52H32N2O
Molecular Weight700.84 g/mol
Exact Mass700.25
IUPAC NameN,2-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2nc3ccc4ccc5ccc(N(c6ccccc6)c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5c4c3o2)cc1
InChIInChI=1S/C52H32N2O/c1-3-13-35(14-4-1)51-53-48-30-26-34-24-23-33-25-27-37(31-43(33)49(34)50(48)55-51)54(36-15-5-2-6-16-36)38-28-29-42-41-19-9-12-22-46(41)52(47(42)32-38)44-20-10-7-17-39(44)40-18-8-11-21-45(40)52/h1-32H
InChIKeyCIRBYMSCDZVPHI-UHFFFAOYSA-N
XLogP13.61
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.84
LogP ≤ 513.61
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-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743046
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-(11,11-dimethylbenzo[b]fluoren-2-yl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 168743074
N-(9,9-dimethylfluoren-2-yl)-N,2-diphenylbenzo[g][1,3]benzoxazol-8-amine
CID 153156571
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-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline
CID 154030880
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-dibenzofuran-2-yl-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 168742999
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
1-N-phenyl-1-N-[4-(N-phenylanilino)phenyl]-3-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)-3-N-[2-(2-phenylphenyl)phenyl]benzene-1,3-diamine
CID 171417037
9,9-dimethyl-N-phenyl-N-[4-(2-phenylbenzo[g][1,3]benzoxazol-8-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]fluoren-2-amine;N-naphthalen-2-yl-2-phenyl-N-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-amine
CID 165067412
2-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 158718429

Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
The IUPAC name of N,2-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine (CID 158673888) is N,2-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine.
What is the SMILES notation for N,2-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
The canonical SMILES for N,2-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine is c1ccc(-c2nc3ccc4ccc5ccc(N(c6ccccc6)c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5c4c3o2)cc1.
What is the InChIKey of N,2-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
The InChIKey is CIRBYMSCDZVPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O/c1-3-13-35(14-4-1)51-53-48-30-26-34-24-23-33-25-27-37(31-43(33)49(34)50(48)55-51)54(36-15-5-2-6-16-36)38-28-29-42-41-19-9-12-22-46(41)52(47(42)32-38)44-20-10-7-17-39(44)40-18-8-11-21-45(40)52/h1-32H.
What are the key properties of N,2-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
N,2-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine has a molecular weight of 700.84 g/mol, XLogP of 13.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine is sourced from PubChem (CID 158673888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).