N-(3-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)-6-oxa-4-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),4,8,11,14,16,18,20-decaen-15-amine

C53H34N2O — CID 176631223

IUPACN-(3-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)-6-oxa-4-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),4,8,11,14,16,18,20-decaen-15-amine
SMILESc1ccc(-c2nc3c(ccc4ccc5cc(N(c6cccc(-c7cccc8ccccc78)c6)c6ccccc6-c6ccccc6)c6ccccc6c5c43)o2)cc1
InChIInChI=1S/C53H34N2O/c1-3-15-36(16-4-1)44-24-11-12-28-47(44)55(41-22-13-21-39(33-41)43-27-14-20-35-17-7-8-23-42(35)43)48-34-40-30-29-37-31-32-49-52(54-53(56-49)38-18-5-2-6-19-38)51(37)50(40)46-26-10-9-25-45(46)48/h1-34H
InChIKeyUIQSZXONXOBATD-UHFFFAOYSA-N
MW714.87 g/mol
LogP14.91
Rot. Bonds6

About N-(3-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)-6-oxa-4-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),4,8,11,14,16,18,20-decaen-15-amine

N-(3-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)-6-oxa-4-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),4,8,11,14,16,18,20-decaen-15-amine (PubChem CID 176631223) has the molecular formula C53H34N2O and a molecular weight of 714.87 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)-6-oxa-4-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),4,8,11,14,16,18,20-decaen-15-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)-6-oxa-4-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),4,8,11,14,16,18,20-decaen-15-amine
PubChem CID176631223
Molecular FormulaC53H34N2O
Molecular Weight714.87 g/mol
Exact Mass714.27
IUPAC NameN-(3-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)-6-oxa-4-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),4,8,11,14,16,18,20-decaen-15-amine
SMILESc1ccc(-c2nc3c(ccc4ccc5cc(N(c6cccc(-c7cccc8ccccc78)c6)c6ccccc6-c6ccccc6)c6ccccc6c5c43)o2)cc1
InChIInChI=1S/C53H34N2O/c1-3-15-36(16-4-1)44-24-11-12-28-47(44)55(41-22-13-21-39(33-41)43-27-14-20-35-17-7-8-23-42(35)43)48-34-40-30-29-37-31-32-49-52(54-53(56-49)38-18-5-2-6-19-38)51(37)50(40)46-26-10-9-25-45(46)48/h1-34H
InChIKeyUIQSZXONXOBATD-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'}

Analyze N-(3-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)-6-oxa-4-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),4,8,11,14,16,18,20-decaen-15-amine with MolForge

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-yl]naphthalen-1-amine
CID 171410556
N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
CID 167124876
N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline
CID 176785926
9-benzo[e][1,3]benzoxazol-2-yl-N-chrysen-1-yl-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 177081499
N-(4-dibenzofuran-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177119483
2-naphthalen-2-yl-N-(6-phenylnaphthalen-2-yl)-N-(2-phenylphenyl)benzo[e][1,3]benzoxazol-9-amine
CID 171410426
4-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline
CID 167125084
N,2-diphenyl-N-[3-(2-phenylphenanthro[2,1-e][1,3]benzoxazol-10-yl)phenyl]aniline
CID 170122375
N,2-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-8-amine
CID 171724750
N-(4-phenylnaphthalen-1-yl)-N-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaen-9-amine
CID 177100666
N-naphthalen-1-yl-2,7-diphenyl-N-(4-phenylphenyl)naphtho[1,2-e][1,3]benzoxazol-10-amine
CID 177112477
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine
CID 167125131

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)-6-oxa-4-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),4,8,11,14,16,18,20-decaen-15-amine?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)-6-oxa-4-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),4,8,11,14,16,18,20-decaen-15-amine (CID 176631223) is N-(3-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)-6-oxa-4-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),4,8,11,14,16,18,20-decaen-15-amine.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)-6-oxa-4-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),4,8,11,14,16,18,20-decaen-15-amine?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)-6-oxa-4-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),4,8,11,14,16,18,20-decaen-15-amine is c1ccc(-c2nc3c(ccc4ccc5cc(N(c6cccc(-c7cccc8ccccc78)c6)c6ccccc6-c6ccccc6)c6ccccc6c5c43)o2)cc1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)-6-oxa-4-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),4,8,11,14,16,18,20-decaen-15-amine?
The InChIKey is UIQSZXONXOBATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2O/c1-3-15-36(16-4-1)44-24-11-12-28-47(44)55(41-22-13-21-39(33-41)43-27-14-20-35-17-7-8-23-42(35)43)48-34-40-30-29-37-31-32-49-52(54-53(56-49)38-18-5-2-6-19-38)51(37)50(40)46-26-10-9-25-45(46)48/h1-34H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)-6-oxa-4-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),4,8,11,14,16,18,20-decaen-15-amine?
N-(3-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)-6-oxa-4-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),4,8,11,14,16,18,20-decaen-15-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 N-(3-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)-6-oxa-4-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),4,8,11,14,16,18,20-decaen-15-amine is sourced from PubChem (CID 176631223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).