N-(4-dibenzothiophen-4-ylphenyl)-17-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

C54H35NOS — CID 176597892

IUPACN-(4-dibenzothiophen-4-ylphenyl)-17-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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4c(c3)Oc3cc(-c5ccccc5)ccc3-c3ccccc3-4)cc2)cc1
InChIInChI=1S/C54H35NOS/c1-3-12-36(13-4-1)38-22-27-41(28-23-38)55(42-29-24-39(25-30-42)44-19-11-20-50-49-18-9-10-21-53(49)57-54(44)50)43-31-33-48-46-17-8-7-16-45(46)47-32-26-40(37-14-5-2-6-15-37)34-51(47)56-52(48)35-43/h1-35H
InChIKeyUXUGQKJSJLCQCL-UHFFFAOYSA-N
MW745.95 g/mol
LogP15.97
Rot. Bonds6

About N-(4-dibenzothiophen-4-ylphenyl)-17-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

N-(4-dibenzothiophen-4-ylphenyl)-17-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 (PubChem CID 176597892) has the molecular formula C54H35NOS and a molecular weight of 745.95 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-17-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.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-17-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
PubChem CID176597892
Molecular FormulaC54H35NOS
Molecular Weight745.95 g/mol
Exact Mass745.24
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-17-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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4c(c3)Oc3cc(-c5ccccc5)ccc3-c3ccccc3-4)cc2)cc1
InChIInChI=1S/C54H35NOS/c1-3-12-36(13-4-1)38-22-27-41(28-23-38)55(42-29-24-39(25-30-42)44-19-11-20-50-49-18-9-10-21-53(49)57-54(44)50)43-31-33-48-46-17-8-7-16-45(46)47-32-26-40(37-14-5-2-6-15-37)34-51(47)56-52(48)35-43/h1-35H
InChIKeyUXUGQKJSJLCQCL-UHFFFAOYSA-N
XLogP15.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.95
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-dibenzothiophen-4-ylphenyl)-17-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 with MolForge

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Related Compounds

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)-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
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
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]-4-phenylaniline
CID 164831578
4-dibenzothiophen-4-yl-3-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 129129842
3-N-(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenyl-3-N-[4-(4-phenylphenyl)phenyl]benzene-1,3-diamine
CID 146579378
N,N-bis(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90263900
7-dibenzothiophen-4-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine
CID 159997970
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 121261293
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291
4-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 90351007

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-17-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?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-17-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 176597892) is N-(4-dibenzothiophen-4-ylphenyl)-17-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.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-17-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?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-17-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 is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc4c(c3)Oc3cc(-c5ccccc5)ccc3-c3ccccc3-4)cc2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-17-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?
The InChIKey is UXUGQKJSJLCQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NOS/c1-3-12-36(13-4-1)38-22-27-41(28-23-38)55(42-29-24-39(25-30-42)44-19-11-20-50-49-18-9-10-21-53(49)57-54(44)50)43-31-33-48-46-17-8-7-16-45(46)47-32-26-40(37-14-5-2-6-15-37)34-51(47)56-52(48)35-43/h1-35H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-17-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?
N-(4-dibenzothiophen-4-ylphenyl)-17-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 has a molecular weight of 745.95 g/mol, XLogP of 15.97, 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)-17-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 is sourced from PubChem (CID 176597892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).