3-[3-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline

C56H37NO2 — CID 166986872

IUPAC3-[3-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc(-c5cccc6c5Oc5cccc7cccc(c57)O6)c4)c3)cc2)cc1
InChIInChI=1S/C56H37NO2/c1-2-12-38(13-3-1)39-28-32-46(33-29-39)57(47-34-30-41(31-35-47)50-23-8-15-40-14-4-5-22-49(40)50)48-21-7-19-44(37-48)43-18-6-20-45(36-43)51-24-11-27-54-56(51)59-53-26-10-17-42-16-9-25-52(58-54)55(42)53/h1-37H
InChIKeyDSSWODROIQEJAX-UHFFFAOYSA-N
MW755.92 g/mol
LogP16.03
Rot. Bonds7

About 3-[3-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline

3-[3-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 166986872) has the molecular formula C56H37NO2 and a molecular weight of 755.92 g/mol. Its IUPAC name is 3-[3-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-[3-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID166986872
Molecular FormulaC56H37NO2
Molecular Weight755.92 g/mol
Exact Mass755.28
IUPAC Name3-[3-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc(-c5cccc6c5Oc5cccc7cccc(c57)O6)c4)c3)cc2)cc1
InChIInChI=1S/C56H37NO2/c1-2-12-38(13-3-1)39-28-32-46(33-29-39)57(47-34-30-41(31-35-47)50-23-8-15-40-14-4-5-22-49(40)50)48-21-7-19-44(37-48)43-18-6-20-45(36-43)51-24-11-27-54-56(51)59-53-26-10-17-42-16-9-25-52(58-54)55(42)53/h1-37H
InChIKeyDSSWODROIQEJAX-UHFFFAOYSA-N
XLogP16.03
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.92
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[3-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

3-[3-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)aniline
CID 166986714
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-N-phenylaniline
CID 174305309
N-(3-naphthalen-1-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-N-(4-phenylphenyl)aniline
CID 174305442
N-(3-naphthalen-1-ylphenyl)-N-phenyl-3-(3-phenylphenyl)aniline
CID 167323754
N,N-bis[4-(4-naphthalen-1-ylphenyl)phenyl]-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)aniline
CID 174305983
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995
N,N-bis(3-naphthalen-1-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)aniline
CID 174306481
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324368
N-(3-naphthalen-1-ylphenyl)-3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-N-phenylaniline
CID 174304431
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 58900796
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-[3-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline (CID 166986872) is 3-[3-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-[3-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-[3-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc(-c5cccc6c5Oc5cccc7cccc(c57)O6)c4)c3)cc2)cc1.
What is the InChIKey of 3-[3-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is DSSWODROIQEJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO2/c1-2-12-38(13-3-1)39-28-32-46(33-29-39)57(47-34-30-41(31-35-47)50-23-8-15-40-14-4-5-22-49(40)50)48-21-7-19-44(37-48)43-18-6-20-45(36-43)51-24-11-27-54-56(51)59-53-26-10-17-42-16-9-25-52(58-54)55(42)53/h1-37H.
What are the key properties of 3-[3-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline?
3-[3-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 755.92 g/mol, XLogP of 16.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,9-dioxatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaen-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 166986872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).