N-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-5-amine

C58H37NOS — CID 176598062

IUPACN-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4c(c3)Oc3cc(-c5ccccc5)ccc3-c3cc5ccccc5cc3-4)cc2)cc1
InChIInChI=1S/C58H37NOS/c1-3-12-38(13-4-1)40-22-27-45(28-23-40)59(46-29-24-41(25-30-46)48-19-11-20-52-51-18-9-10-21-57(51)61-58(48)52)47-31-33-50-54-35-43-17-8-7-16-42(43)34-53(54)49-32-26-44(39-14-5-2-6-15-39)36-55(49)60-56(50)37-47/h1-37H
InChIKeyGVZXXEAEJMALTM-UHFFFAOYSA-N
MW796.01 g/mol
LogP17.12
Rot. Bonds6

About N-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-5-amine

N-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-5-amine (PubChem CID 176598062) has the molecular formula C58H37NOS and a molecular weight of 796.01 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-5-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-5-amine
PubChem CID176598062
Molecular FormulaC58H37NOS
Molecular Weight796.01 g/mol
Exact Mass795.26
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-5-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4c(c3)Oc3cc(-c5ccccc5)ccc3-c3cc5ccccc5cc3-4)cc2)cc1
InChIInChI=1S/C58H37NOS/c1-3-12-38(13-4-1)40-22-27-45(28-23-40)59(46-29-24-41(25-30-46)48-19-11-20-52-51-18-9-10-21-57(51)61-58(48)52)47-31-33-50-54-35-43-17-8-7-16-42(43)34-53(54)49-32-26-44(39-14-5-2-6-15-39)36-55(49)60-56(50)37-47/h1-37H
InChIKeyGVZXXEAEJMALTM-UHFFFAOYSA-N
XLogP17.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.01
LogP ≤ 517.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-5-amine with MolForge

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Related Compounds

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CID 176597892
N-(4-dibenzothiophen-4-ylphenyl)-18-phenyl-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-11-amine
CID 176598300
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]tetraphenylen-2-amine
CID 139297752
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118405906
10-N-(4-dibenzothiophen-4-ylphenyl)-5-N,5-N-diphenyl-10-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine
CID 168855499
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 164831578
3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine
CID 146579378
5-N-(4-dibenzothiophen-4-ylphenyl)-5-N-naphthalen-2-yl-1-N,3-N-bis(3-phenylphenyl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
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N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
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Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-5-amine?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-5-amine (CID 176598062) is N-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-5-amine.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-5-amine?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-5-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4c(c3)Oc3cc(-c5ccccc5)ccc3-c3cc5ccccc5cc3-4)cc2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-5-amine?
The InChIKey is GVZXXEAEJMALTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NOS/c1-3-12-38(13-4-1)40-22-27-45(28-23-40)59(46-29-24-41(25-30-46)48-19-11-20-52-51-18-9-10-21-57(51)61-58(48)52)47-31-33-50-54-35-43-17-8-7-16-42(43)34-53(54)49-32-26-44(39-14-5-2-6-15-39)36-55(49)60-56(50)37-47/h1-37H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-5-amine?
N-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-5-amine has a molecular weight of 796.01 g/mol, XLogP of 17.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-11-phenyl-N-(4-phenylphenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2(7),3,5,9(14),10,12,15,17,19,21-undecaen-5-amine is sourced from PubChem (CID 176598062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).