N-[3-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine

C43H28N2O — CID 167171709

IUPACN-[3-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccc5ccc6c7ncccc7oc6c5c4)c3)c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C43H28N2O/c1-2-10-29(11-3-1)32-14-6-16-35(26-32)45(40-19-8-13-30-12-4-5-18-37(30)40)36-17-7-15-33(27-36)34-22-21-31-23-24-38-42-41(20-9-25-44-42)46-43(38)39(31)28-34/h1-28H
InChIKeyOPZVFGQEQKTSQC-UHFFFAOYSA-N
MW588.71 g/mol
LogP12.09
Rot. Bonds5

About N-[3-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine

N-[3-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine (PubChem CID 167171709) has the molecular formula C43H28N2O and a molecular weight of 588.71 g/mol. Its IUPAC name is N-[3-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[3-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
PubChem CID167171709
Molecular FormulaC43H28N2O
Molecular Weight588.71 g/mol
Exact Mass588.22
IUPAC NameN-[3-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccc5ccc6c7ncccc7oc6c5c4)c3)c3cccc4ccccc34)c2)cc1
InChIInChI=1S/C43H28N2O/c1-2-10-29(11-3-1)32-14-6-16-35(26-32)45(40-19-8-13-30-12-4-5-18-37(30)40)36-17-7-15-33(27-36)34-22-21-31-23-24-38-42-41(20-9-25-44-42)46-43(38)39(31)28-34/h1-28H
InChIKeyOPZVFGQEQKTSQC-UHFFFAOYSA-N
XLogP12.09
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.71
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[3-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine with MolForge

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Related Compounds

N-(3-phenylphenyl)-N-(4-phenylphenyl)-17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine
CID 167171774
N-phenanthren-3-yl-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine
CID 163825897
N-(7-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)-[1]benzofuro[3,2-b]pyridin-6-amine
CID 168738271
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridin-6-amine
CID 166861996
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738120
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 166939006
17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 138661052
N-phenyl-N-[3-(8-phenyldibenzofuran-2-yl)phenyl]naphthalen-1-amine
CID 121296588
N-(4-dibenzofuran-3-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738298
N-dibenzofuran-4-yl-N-(4-phenylphenyl)-17-oxa-15-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-5-amine
CID 167171670
N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168803987
N-[3-[4-[4-(N-(3-naphthalen-1-ylphenyl)-3-phenylanilino)-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-1-amine
CID 174272949

Frequently Asked Questions

What is the IUPAC name of N-[3-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-[3-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine (CID 167171709) is N-[3-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[3-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[3-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine is c1ccc(-c2cccc(N(c3cccc(-c4ccc5ccc6c7ncccc7oc6c5c4)c3)c3cccc4ccccc34)c2)cc1.
What is the InChIKey of N-[3-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine?
The InChIKey is OPZVFGQEQKTSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N2O/c1-2-10-29(11-3-1)32-14-6-16-35(26-32)45(40-19-8-13-30-12-4-5-18-37(30)40)36-17-7-15-33(27-36)34-22-21-31-23-24-38-42-41(20-9-25-44-42)46-43(38)39(31)28-34/h1-28H.
What are the key properties of N-[3-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine?
N-[3-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine has a molecular weight of 588.71 g/mol, XLogP of 12.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaen-4-yl)phenyl]-N-(3-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 167171709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).