N-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]aniline

C58H36N2OS — CID 174284317

IUPACN-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]aniline
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc4c(c3)c3cccc5c3n4-c3ccccc3O5)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)c1
InChIInChI=1S/C58H36N2OS/c1-2-11-40-34-42(23-22-37(40)10-1)41-12-7-13-46(35-41)59(45-31-26-39(27-32-45)47-15-8-17-50-48-14-3-6-21-56(48)62-58(47)50)44-29-24-38(25-30-44)43-28-33-52-51(36-43)49-16-9-20-55-57(49)60(52)53-18-4-5-19-54(53)61-55/h1-36H
InChIKeyPZJIIFARQPBUBW-UHFFFAOYSA-N
MW809.01 g/mol
LogP16.88
Rot. Bonds6

About N-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]aniline

N-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]aniline (PubChem CID 174284317) has the molecular formula C58H36N2OS and a molecular weight of 809.01 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]aniline
PubChem CID174284317
Molecular FormulaC58H36N2OS
Molecular Weight809.01 g/mol
Exact Mass808.25
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]aniline
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc4c(c3)c3cccc5c3n4-c3ccccc3O5)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)c1
InChIInChI=1S/C58H36N2OS/c1-2-11-40-34-42(23-22-37(40)10-1)41-12-7-13-46(35-41)59(45-31-26-39(27-32-45)47-15-8-17-50-48-14-3-6-21-56(48)62-58(47)50)44-29-24-38(25-30-44)43-28-33-52-51(36-43)49-16-9-20-55-57(49)60(52)53-18-4-5-19-54(53)61-55/h1-36H
InChIKeyPZJIIFARQPBUBW-UHFFFAOYSA-N
XLogP16.88
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.01
LogP ≤ 516.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]aniline with MolForge

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Related Compounds

3-dibenzofuran-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535193
3-dibenzofuran-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 170535112
3-carbazol-9-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578512
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
CID 118604879
4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 90131943
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-2-amine
CID 168767596
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3-naphthalen-2-yl-5-phenylphenyl)phenyl]aniline
CID 70808692
N-[2-[2-[5-[2-(4-dibenzothiophen-4-yl-N-(2,4-diphenylphenyl)anilino)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-10-yl]-3-methylphenyl]-4-phenylphenyl]-N-[2-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]dibenzothiophen-4-amine
CID 174283722
3-[2-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118086690
3-[4-(9-dibenzothiophen-4-ylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118086568
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-(4-phenylphenyl)aniline
CID 137392484
9-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-3-yl)phenyl]-N,N,6-triphenylcarbazol-3-amine
CID 164795463

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]aniline?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]aniline (CID 174284317) is N-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]aniline is c1cc(-c2ccc3ccccc3c2)cc(N(c2ccc(-c3ccc4c(c3)c3cccc5c3n4-c3ccccc3O5)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)c1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]aniline?
The InChIKey is PZJIIFARQPBUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2OS/c1-2-11-40-34-42(23-22-37(40)10-1)41-12-7-13-46(35-41)59(45-31-26-39(27-32-45)47-15-8-17-50-48-14-3-6-21-56(48)62-58(47)50)44-29-24-38(25-30-44)43-28-33-52-51(36-43)49-16-9-20-55-57(49)60(52)53-18-4-5-19-54(53)61-55/h1-36H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]aniline?
N-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]aniline has a molecular weight of 809.01 g/mol, XLogP of 16.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-3-naphthalen-2-yl-N-[4-(13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-yl)phenyl]aniline is sourced from PubChem (CID 174284317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).