N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline

C56H36N2S — CID 126718198

IUPACN-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc(-c3ccc4c(c3)c3ccc5cc6sc7ccccc7c6cc5c3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C56H36N2S/c1-3-15-44(16-4-1)57(46-28-24-38(25-29-46)41-23-22-37-12-7-8-13-39(37)32-41)47-19-11-14-40(33-47)42-27-31-53-51(34-42)49-30-26-43-35-55-52(48-20-9-10-21-54(48)59-55)36-50(43)56(49)58(53)45-17-5-2-6-18-45/h1-36H
InChIKeyPFAFQOGETCWLIJ-UHFFFAOYSA-N
MW768.99 g/mol
LogP16.26
Rot. Bonds6

About N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline

N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline (PubChem CID 126718198) has the molecular formula C56H36N2S and a molecular weight of 768.99 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline
PubChem CID126718198
Molecular FormulaC56H36N2S
Molecular Weight768.99 g/mol
Exact Mass768.26
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc(-c3ccc4c(c3)c3ccc5cc6sc7ccccc7c6cc5c3n4-c3ccccc3)c2)cc1
InChIInChI=1S/C56H36N2S/c1-3-15-44(16-4-1)57(46-28-24-38(25-29-46)41-23-22-37-12-7-8-13-39(37)32-41)47-19-11-14-40(33-47)42-27-31-53-51(34-42)49-30-26-43-35-55-52(48-20-9-10-21-54(48)59-55)36-50(43)56(49)58(53)45-17-5-2-6-18-45/h1-36H
InChIKeyPFAFQOGETCWLIJ-UHFFFAOYSA-N
XLogP16.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.99
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline with MolForge

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Related Compounds

N,4-diphenyl-N-[4-[4-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]aniline
CID 126718544
N-(4-carbazol-9-ylphenyl)-N-[4-[3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)phenyl]phenyl]naphthalen-2-amine
CID 126718547
N-dibenzothiophen-3-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-3-amine
CID 166847791
N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-2-amine
CID 129222113
1-N-[4-[4-[3-[4-[N-dibenzothiophen-3-yl-3-naphthalen-2-yl-5-(4-phenyl-N-(4-phenylphenyl)anilino)anilino]phenyl]phenyl]phenyl]phenyl]-5-naphthalen-2-yl-3-N-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 146664119
3-([1]benzothiolo[2,3-b]carbazol-7-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 135164596
methane;N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 159257159
3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline
CID 163486242
3-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 168767536
N-(4-dibenzothiophen-3-ylphenyl)-3-(6-naphthalen-2-ylnaphthalen-2-yl)-N-phenylaniline
CID 174257627
N-dibenzothiophen-2-yl-11-phenyl-N-(3-phenylphenyl)benzo[a]carbazol-9-amine
CID 166847901
3-([1]benzothiolo[2,3-b]carbazol-7-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;N-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-3-naphthalen-2-yl-N-phenylaniline;N-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-4-naphthalen-1-yl-N-phenylaniline
CID 158502718

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline (CID 126718198) is N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc(-c3ccc4c(c3)c3ccc5cc6sc7ccccc7c6cc5c3n4-c3ccccc3)c2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline?
The InChIKey is PFAFQOGETCWLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2S/c1-3-15-44(16-4-1)57(46-28-24-38(25-29-46)41-23-22-37-12-7-8-13-39(37)32-41)47-19-11-14-40(33-47)42-27-31-53-51(34-42)49-30-26-43-35-55-52(48-20-9-10-21-54(48)59-55)36-50(43)56(49)58(53)45-17-5-2-6-18-45/h1-36H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline?
N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline has a molecular weight of 768.99 g/mol, XLogP of 16.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(3-phenyl-16-thia-3-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),17,19,21-undecaen-7-yl)aniline is sourced from PubChem (CID 126718198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).