N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[1,2-g][1,3]benzoxazol-9-amine

C45H26N2O3 — CID 174293870

IUPACN,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[1,2-g][1,3]benzoxazol-9-amine
SMILESc1ccc(-c2nc3ccc4c(ccc5cccc(N(c6ccc7oc8ccccc8c7c6)c6ccc7oc8ccccc8c7c6)c54)c3o2)cc1
InChIInChI=1S/C45H26N2O3/c1-2-9-28(10-3-1)45-46-37-22-21-33-34(44(37)50-45)20-17-27-11-8-14-38(43(27)33)47(29-18-23-41-35(25-29)31-12-4-6-15-39(31)48-41)30-19-24-42-36(26-30)32-13-5-7-16-40(32)49-42/h1-26H
InChIKeyYVLFTKLAQRAYLM-UHFFFAOYSA-N
MW642.71 g/mol
LogP13.07
Rot. Bonds4

About N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[1,2-g][1,3]benzoxazol-9-amine

N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[1,2-g][1,3]benzoxazol-9-amine (PubChem CID 174293870) has the molecular formula C45H26N2O3 and a molecular weight of 642.71 g/mol. Its IUPAC name is N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[1,2-g][1,3]benzoxazol-9-amine.

Molecular Properties

Compound NameN,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[1,2-g][1,3]benzoxazol-9-amine
PubChem CID174293870
Molecular FormulaC45H26N2O3
Molecular Weight642.71 g/mol
Exact Mass642.19
IUPAC NameN,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[1,2-g][1,3]benzoxazol-9-amine
SMILESc1ccc(-c2nc3ccc4c(ccc5cccc(N(c6ccc7oc8ccccc8c7c6)c6ccc7oc8ccccc8c7c6)c54)c3o2)cc1
InChIInChI=1S/C45H26N2O3/c1-2-9-28(10-3-1)45-46-37-22-21-33-34(44(37)50-45)20-17-27-11-8-14-38(43(27)33)47(29-18-23-41-35(25-29)31-12-4-6-15-39(31)48-41)30-19-24-42-36(26-30)32-13-5-7-16-40(32)49-42/h1-26H
InChIKeyYVLFTKLAQRAYLM-UHFFFAOYSA-N
XLogP13.07
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.71
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
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-dibenzofuran-1-yl-2-phenyl-N-(4-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 155473792
N-dibenzofuran-2-yl-N-dibenzofuran-3-yl-2-naphthalen-2-ylbenzo[g][1,3]benzoxazol-9-amine
CID 170425064
N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;hydride
CID 163563269
N-dibenzofuran-2-yl-N-phenanthren-2-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 169053168
N-dibenzofuran-2-yl-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 168742999
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-(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-(2-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 174319667
N-phenyl-N-[4-(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-yl)phenyl]dibenzofuran-2-amine
CID 176631721
N-dibenzofuran-1-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 176851617

Frequently Asked Questions

What is the IUPAC name of N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[1,2-g][1,3]benzoxazol-9-amine?
The IUPAC name of N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[1,2-g][1,3]benzoxazol-9-amine (CID 174293870) is N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[1,2-g][1,3]benzoxazol-9-amine.
What is the SMILES notation for N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[1,2-g][1,3]benzoxazol-9-amine?
The canonical SMILES for N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[1,2-g][1,3]benzoxazol-9-amine is c1ccc(-c2nc3ccc4c(ccc5cccc(N(c6ccc7oc8ccccc8c7c6)c6ccc7oc8ccccc8c7c6)c54)c3o2)cc1.
What is the InChIKey of N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[1,2-g][1,3]benzoxazol-9-amine?
The InChIKey is YVLFTKLAQRAYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N2O3/c1-2-9-28(10-3-1)45-46-37-22-21-33-34(44(37)50-45)20-17-27-11-8-14-38(43(27)33)47(29-18-23-41-35(25-29)31-12-4-6-15-39(31)48-41)30-19-24-42-36(26-30)32-13-5-7-16-40(32)49-42/h1-26H.
What are the key properties of N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[1,2-g][1,3]benzoxazol-9-amine?
N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[1,2-g][1,3]benzoxazol-9-amine has a molecular weight of 642.71 g/mol, XLogP of 13.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[1,2-g][1,3]benzoxazol-9-amine is sourced from PubChem (CID 174293870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).