N-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-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-18-amine

C53H32N2O2 — CID 176631501

IUPACN-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-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-18-amine
SMILESc1ccc(-c2nc3ccc4ccc5ccc6cc(N(c7cccc(-c8cccc9ccccc89)c7)c7ccc8oc9ccccc9c8c7)ccc6c5c4c3o2)cc1
InChIInChI=1S/C53H32N2O2/c1-2-11-36(12-3-1)53-54-47-28-24-35-21-20-34-22-23-38-31-40(25-27-44(38)50(34)51(35)52(47)57-53)55(41-26-29-49-46(32-41)45-17-6-7-19-48(45)56-49)39-15-8-14-37(30-39)43-18-9-13-33-10-4-5-16-42(33)43/h1-32H
InChIKeyCBTUCRBYCHKOIQ-UHFFFAOYSA-N
MW728.85 g/mol
LogP15.14
Rot. Bonds5

About N-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-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-18-amine

N-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-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-18-amine (PubChem CID 176631501) has the molecular formula C53H32N2O2 and a molecular weight of 728.85 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-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-18-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-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-18-amine
PubChem CID176631501
Molecular FormulaC53H32N2O2
Molecular Weight728.85 g/mol
Exact Mass728.25
IUPAC NameN-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-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-18-amine
SMILESc1ccc(-c2nc3ccc4ccc5ccc6cc(N(c7cccc(-c8cccc9ccccc89)c7)c7ccc8oc9ccccc9c8c7)ccc6c5c4c3o2)cc1
InChIInChI=1S/C53H32N2O2/c1-2-11-36(12-3-1)53-54-47-28-24-35-21-20-34-22-23-38-31-40(25-27-44(38)50(34)51(35)52(47)57-53)55(41-26-29-49-46(32-41)45-17-6-7-19-48(45)56-49)39-15-8-14-37(30-39)43-18-9-13-33-10-4-5-16-42(33)43/h1-32H
InChIKeyCBTUCRBYCHKOIQ-UHFFFAOYSA-N
XLogP15.14
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.85
LogP ≤ 515.14
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-2-yl-N-(3-naphthalen-1-ylphenyl)-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-18-amine with MolForge

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Related Compounds

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-2-yl-N-phenanthren-2-yl-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 169053168
N-dibenzofuran-2-yl-2-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 176851647
N-dibenzofuran-2-yl-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 168742999
N-phenanthren-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167122976
N,N-di(dibenzofuran-2-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-amine;hydride
CID 163563269
N-(4-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 177119768
N-(4-dibenzofuran-2-ylphenyl)-3-naphtho[2,1-g][1,3]benzoxazol-2-yl-N-phenylaniline
CID 177119767
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-3-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167123885
N-dibenzofuran-2-yl-2-phenyl-N-(7-phenylnaphthalen-2-yl)naphtho[2,1-g][1,3]benzoxazol-10-amine
CID 169053230
N-(2-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-10-amine
CID 174319667

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-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-18-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-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-18-amine (CID 176631501) is N-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-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-18-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-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-18-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-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-18-amine is c1ccc(-c2nc3ccc4ccc5ccc6cc(N(c7cccc(-c8cccc9ccccc89)c7)c7ccc8oc9ccccc9c8c7)ccc6c5c4c3o2)cc1.
What is the InChIKey of N-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-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-18-amine?
The InChIKey is CBTUCRBYCHKOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O2/c1-2-11-36(12-3-1)53-54-47-28-24-35-21-20-34-22-23-38-31-40(25-27-44(38)50(34)51(35)52(47)57-53)55(41-26-29-49-46(32-41)45-17-6-7-19-48(45)56-49)39-15-8-14-37(30-39)43-18-9-13-33-10-4-5-16-42(33)43/h1-32H.
What are the key properties of N-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-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-18-amine?
N-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-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-18-amine has a molecular weight of 728.85 g/mol, XLogP of 15.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-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-18-amine is sourced from PubChem (CID 176631501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).