N-naphthalen-2-yl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]dibenzofuran-3-amine

C49H32N2O2 — CID 166889205

IUPACN-naphthalen-2-yl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(C2Nc3c(c4cc(-c5ccc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)cc5)ccc4c4ccccc34)O2)cc1
InChIInChI=1S/C49H32N2O2/c1-2-11-33(12-3-1)49-50-47-43-16-7-6-14-39(43)40-26-21-35(29-44(40)48(47)53-49)32-18-22-36(23-19-32)51(37-24-20-31-10-4-5-13-34(31)28-37)38-25-27-42-41-15-8-9-17-45(41)52-46(42)30-38/h1-30,49-50H
InChIKeyNRDDPMSGLAIYGA-UHFFFAOYSA-N
MW680.81 g/mol
LogP13.69
Rot. Bonds5

About N-naphthalen-2-yl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]dibenzofuran-3-amine

N-naphthalen-2-yl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]dibenzofuran-3-amine (PubChem CID 166889205) has the molecular formula C49H32N2O2 and a molecular weight of 680.81 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]dibenzofuran-3-amine
PubChem CID166889205
Molecular FormulaC49H32N2O2
Molecular Weight680.81 g/mol
Exact Mass680.25
IUPAC NameN-naphthalen-2-yl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(C2Nc3c(c4cc(-c5ccc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)cc5)ccc4c4ccccc34)O2)cc1
InChIInChI=1S/C49H32N2O2/c1-2-11-33(12-3-1)49-50-47-43-16-7-6-14-39(43)40-26-21-35(29-44(40)48(47)53-49)32-18-22-36(23-19-32)51(37-24-20-31-10-4-5-13-34(31)28-37)38-25-27-42-41-15-8-9-17-45(41)52-46(42)30-38/h1-30,49-50H
InChIKeyNRDDPMSGLAIYGA-UHFFFAOYSA-N
XLogP13.69
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.81
LogP ≤ 513.69
H-Bond Donors ≤ 51
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-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]naphthalen-2-amine
CID 166889557
N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-yl)phenyl]naphthalen-2-amine
CID 166889312
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-amine
CID 166889328
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-amine
CID 166889500
4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-yl)phenyl]aniline
CID 166889186
N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]naphthalen-1-amine
CID 166889558
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-[4-[4-(4-dibenzofuran-3-yl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)naphthalen-2-amine
CID 122533769
8-phenyl-N,N-bis(4-phenylphenyl)-7,18-dioxa-9-azapentacyclo[13.2.1.05,17.06,10.011,16]octadeca-1,3,5(17),6(10),11(16),12,14-heptaen-3-amine
CID 177089759
N-[3-(2,5-diphenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 166889542
N-[4-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121450043
3-N,7-N-dinaphthalen-2-yl-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 177117023

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-naphthalen-2-yl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]dibenzofuran-3-amine (CID 166889205) is N-naphthalen-2-yl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-naphthalen-2-yl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]dibenzofuran-3-amine is c1ccc(C2Nc3c(c4cc(-c5ccc(N(c6ccc7ccccc7c6)c6ccc7c(c6)oc6ccccc67)cc5)ccc4c4ccccc34)O2)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is NRDDPMSGLAIYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2O2/c1-2-11-33(12-3-1)49-50-47-43-16-7-6-14-39(43)40-26-21-35(29-44(40)48(47)53-49)32-18-22-36(23-19-32)51(37-24-20-31-10-4-5-13-34(31)28-37)38-25-27-42-41-15-8-9-17-45(41)52-46(42)30-38/h1-30,49-50H.
What are the key properties of N-naphthalen-2-yl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]dibenzofuran-3-amine?
N-naphthalen-2-yl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 680.81 g/mol, XLogP of 13.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-[4-(2-phenyl-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 166889205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).