N-dibenzofuran-1-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine

C49H30N2O2 — CID 176851617

IUPACN-dibenzofuran-1-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2ccc3ccc(N(c4ccc5ccc6ccc7nc(-c8ccccc8)oc7c6c5c4)c4cccc5oc6ccccc6c45)cc3c2)cc1
InChIInChI=1S/C49H30N2O2/c1-3-10-31(11-4-1)36-21-18-32-22-25-38(29-37(32)28-36)51(43-15-9-17-45-47(43)40-14-7-8-16-44(40)52-45)39-26-23-33-19-20-34-24-27-42-48(46(34)41(33)30-39)53-49(50-42)35-12-5-2-6-13-35/h1-30H
InChIKeyWDNISIYBQMVUAG-UHFFFAOYSA-N
MW678.79 g/mol
LogP13.99
Rot. Bonds5

About N-dibenzofuran-1-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine

N-dibenzofuran-1-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine (PubChem CID 176851617) has the molecular formula C49H30N2O2 and a molecular weight of 678.79 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
PubChem CID176851617
Molecular FormulaC49H30N2O2
Molecular Weight678.79 g/mol
Exact Mass678.23
IUPAC NameN-dibenzofuran-1-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
SMILESc1ccc(-c2ccc3ccc(N(c4ccc5ccc6ccc7nc(-c8ccccc8)oc7c6c5c4)c4cccc5oc6ccccc6c45)cc3c2)cc1
InChIInChI=1S/C49H30N2O2/c1-3-10-31(11-4-1)36-21-18-32-22-25-38(29-37(32)28-36)51(43-15-9-17-45-47(43)40-14-7-8-16-44(40)52-45)39-26-23-33-19-20-34-24-27-42-48(46(34)41(33)30-39)53-49(50-42)35-12-5-2-6-13-35/h1-30H
InChIKeyWDNISIYBQMVUAG-UHFFFAOYSA-N
XLogP13.99
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.79
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-dibenzofuran-1-yl-2-phenyl-N-(7-phenylnaphthalen-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-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 155473792
N-[3-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176877839
N-dibenzofuran-2-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 169053230
N-dibenzofuran-3-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-8-amine;N,N-diphenyl-4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)aniline;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 163590286
N-dibenzofuran-1-yl-N,2,7-triphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 177112795
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-2-phenyl-N-(2-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;N-phenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-1-amine;N-phenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]dibenzofuran-4-amine
CID 163893650
N,N-bis(4-phenylphenyl)-2-pyridin-2-ylnaphtho[1,2-e][1,3]benzoxazol-10-amine;N-dibenzofuran-1-yl-2-phenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine;2-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 163546952
N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-17-amine
CID 176631630
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 176877752
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139352752
N,N-di(dibenzofuran-2-yl)-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-17-amine
CID 176631324

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
The IUPAC name of N-dibenzofuran-1-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine (CID 176851617) is N-dibenzofuran-1-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
The canonical SMILES for N-dibenzofuran-1-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine is c1ccc(-c2ccc3ccc(N(c4ccc5ccc6ccc7nc(-c8ccccc8)oc7c6c5c4)c4cccc5oc6ccccc6c45)cc3c2)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
The InChIKey is WDNISIYBQMVUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O2/c1-3-10-31(11-4-1)36-21-18-32-22-25-38(29-37(32)28-36)51(43-15-9-17-45-47(43)40-14-7-8-16-44(40)52-45)39-26-23-33-19-20-34-24-27-42-48(46(34)41(33)30-39)53-49(50-42)35-12-5-2-6-13-35/h1-30H.
What are the key properties of N-dibenzofuran-1-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine?
N-dibenzofuran-1-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine has a molecular weight of 678.79 g/mol, XLogP of 13.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine is sourced from PubChem (CID 176851617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).