5-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(2-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-18-amine

C53H34N2O — CID 176631562

IUPAC5-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(2-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-18-amine
SMILESc1ccc(-c2nc3ccc4ccc5ccc6cc(N(c7ccccc7-c7ccccc7)c7ccc(-c8ccccc8)c8ccccc78)ccc6c5c4c3o2)cc1
InChIInChI=1S/C53H34N2O/c1-4-14-35(15-5-1)42-31-33-49(46-22-11-10-21-45(42)46)55(48-23-13-12-20-43(48)36-16-6-2-7-17-36)41-29-30-44-40(34-41)27-26-37-24-25-38-28-32-47-52(51(38)50(37)44)56-53(54-47)39-18-8-3-9-19-39/h1-34H
InChIKeyXUNDCIRUXXRZFQ-UHFFFAOYSA-N
MW714.87 g/mol
LogP14.91
Rot. Bonds6

About 5-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(2-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-18-amine

5-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(2-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-18-amine (PubChem CID 176631562) has the molecular formula C53H34N2O and a molecular weight of 714.87 g/mol. Its IUPAC name is 5-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(2-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-18-amine.

Molecular Properties

Compound Name5-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(2-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-18-amine
PubChem CID176631562
Molecular FormulaC53H34N2O
Molecular Weight714.87 g/mol
Exact Mass714.27
IUPAC Name5-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(2-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-18-amine
SMILESc1ccc(-c2nc3ccc4ccc5ccc6cc(N(c7ccccc7-c7ccccc7)c7ccc(-c8ccccc8)c8ccccc78)ccc6c5c4c3o2)cc1
InChIInChI=1S/C53H34N2O/c1-4-14-35(15-5-1)42-31-33-49(46-22-11-10-21-45(42)46)55(48-23-13-12-20-43(48)36-16-6-2-7-17-36)41-29-30-44-40(34-41)27-26-37-24-25-38-28-32-47-52(51(38)50(37)44)56-53(54-47)39-18-8-3-9-19-39/h1-34H
InChIKeyXUNDCIRUXXRZFQ-UHFFFAOYSA-N
XLogP14.91
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(3-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-18-amine
CID 176631654
N-(4-naphthalen-2-ylphenyl)-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-18-amine
CID 176631252
CID 168744150
CID 168744150
N-(9,9-dimethylfluoren-4-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-18-amine
CID 176631495
N-(4-naphthalen-1-yl-2-phenylphenyl)-4-(2-phenylbenzo[g][1,3]benzoxazol-6-yl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 171410589
N,2-diphenyl-N-(3-phenylphenyl)naphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743018
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
N-(4-dibenzofuran-1-ylphenyl)-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 176631492
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),5,8,11,14,16,18,20-decaen-14-yl)phenyl]naphthalen-1-amine
CID 176631327
N-dibenzothiophen-4-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-18-amine
CID 176631678
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
N-(3-naphthalen-2-ylphenyl)-5-phenyl-N-(3-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 176631307

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(2-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-18-amine?
The IUPAC name of 5-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(2-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-18-amine (CID 176631562) is 5-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(2-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-18-amine.
What is the SMILES notation for 5-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(2-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-18-amine?
The canonical SMILES for 5-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(2-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-18-amine is c1ccc(-c2nc3ccc4ccc5ccc6cc(N(c7ccccc7-c7ccccc7)c7ccc(-c8ccccc8)c8ccccc78)ccc6c5c4c3o2)cc1.
What is the InChIKey of 5-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(2-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-18-amine?
The InChIKey is XUNDCIRUXXRZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O/c1-4-14-35(15-5-1)42-31-33-49(46-22-11-10-21-45(42)46)55(48-23-13-12-20-43(48)36-16-6-2-7-17-36)41-29-30-44-40(34-41)27-26-37-24-25-38-28-32-47-52(51(38)50(37)44)56-53(54-47)39-18-8-3-9-19-39/h1-34H.
What are the key properties of 5-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(2-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-18-amine?
5-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(2-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-18-amine has a molecular weight of 714.87 g/mol, XLogP of 14.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(2-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-18-amine is sourced from PubChem (CID 176631562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).