N-dibenzothiophen-4-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzothiophen-4-amine

C48H27NS4 — CID 165092142

IUPACN-dibenzothiophen-4-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc2c(c1)sc1c(N(c3ccc(-c4cccc5c4sc4c5ccc5sc6ccccc6c54)cc3)c3cccc4c3sc3ccccc34)cccc12
InChIInChI=1S/C48H27NS4/c1-4-19-40-31(10-1)33-15-8-17-38(46(33)51-40)49(39-18-9-16-34-32-11-2-5-20-41(32)52-47(34)39)29-24-22-28(23-25-29)30-13-7-14-35-36-26-27-43-44(48(36)53-45(30)35)37-12-3-6-21-42(37)50-43/h1-27H
InChIKeyWTQAYAZFUPITEI-UHFFFAOYSA-N
MW746.02 g/mol
LogP16.30
Rot. Bonds4

About N-dibenzothiophen-4-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzothiophen-4-amine

N-dibenzothiophen-4-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzothiophen-4-amine (PubChem CID 165092142) has the molecular formula C48H27NS4 and a molecular weight of 746.02 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzothiophen-4-amine
PubChem CID165092142
Molecular FormulaC48H27NS4
Molecular Weight746.02 g/mol
Exact Mass745.10
IUPAC NameN-dibenzothiophen-4-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzothiophen-4-amine
SMILESc1ccc2c(c1)sc1c(N(c3ccc(-c4cccc5c4sc4c5ccc5sc6ccccc6c54)cc3)c3cccc4c3sc3ccccc34)cccc12
InChIInChI=1S/C48H27NS4/c1-4-19-40-31(10-1)33-15-8-17-38(46(33)51-40)49(39-18-9-16-34-32-11-2-5-20-41(32)52-47(34)39)29-24-22-28(23-25-29)30-13-7-14-35-36-26-27-43-44(48(36)53-45(30)35)37-12-3-6-21-42(37)50-43/h1-27H
InChIKeyWTQAYAZFUPITEI-UHFFFAOYSA-N
XLogP16.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.02
LogP ≤ 516.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-dibenzothiophen-4-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzothiophen-4-amine with MolForge

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 167396867
N-dibenzothiophen-1-yl-N-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-amine
CID 167396471
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-dibenzothiophen-4-yl-6-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 153434003
N-dibenzofuran-4-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzofuran-4-amine
CID 164988843
N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167397750
N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 167396935
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 59022060
N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 138718869
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 168790748
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylnaphthalen-1-yl)-6-phenyldibenzothiophen-4-amine
CID 167397345
N-[2-[2-(N-dibenzothiophen-4-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 139322283

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzothiophen-4-amine (CID 165092142) is N-dibenzothiophen-4-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzothiophen-4-amine is c1ccc2c(c1)sc1c(N(c3ccc(-c4cccc5c4sc4c5ccc5sc6ccccc6c54)cc3)c3cccc4c3sc3ccccc34)cccc12.
What is the InChIKey of N-dibenzothiophen-4-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzothiophen-4-amine?
The InChIKey is WTQAYAZFUPITEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27NS4/c1-4-19-40-31(10-1)33-15-8-17-38(46(33)51-40)49(39-18-9-16-34-32-11-2-5-20-41(32)52-47(34)39)29-24-22-28(23-25-29)30-13-7-14-35-36-26-27-43-44(48(36)53-45(30)35)37-12-3-6-21-42(37)50-43/h1-27H.
What are the key properties of N-dibenzothiophen-4-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzothiophen-4-amine?
N-dibenzothiophen-4-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzothiophen-4-amine has a molecular weight of 746.02 g/mol, XLogP of 16.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-[4-(9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 165092142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).