6-(9-dibenzothiophen-1-yldibenzothiophen-2-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine

C52H31NOS2 — CID 174244658

IUPAC6-(9-dibenzothiophen-1-yldibenzothiophen-2-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cccc3c2oc2c(-c4ccc5sc6cccc(-c7cccc8sc9ccccc9c78)c6c5c4)cccc23)cc1
InChIInChI=1S/C52H31NOS2/c1-2-14-35(15-3-1)53(36-28-26-32-12-4-5-13-33(32)30-36)44-22-9-21-41-40-20-8-17-37(51(40)54-52(41)44)34-27-29-46-43(31-34)50-39(19-11-25-48(50)56-46)38-18-10-24-47-49(38)42-16-6-7-23-45(42)55-47/h1-31H
InChIKeyCFXXUOGSEGRJCS-UHFFFAOYSA-N
MW749.96 g/mol
LogP16.28
Rot. Bonds5

About 6-(9-dibenzothiophen-1-yldibenzothiophen-2-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine

6-(9-dibenzothiophen-1-yldibenzothiophen-2-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine (PubChem CID 174244658) has the molecular formula C52H31NOS2 and a molecular weight of 749.96 g/mol. Its IUPAC name is 6-(9-dibenzothiophen-1-yldibenzothiophen-2-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine.

Molecular Properties

Compound Name6-(9-dibenzothiophen-1-yldibenzothiophen-2-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine
PubChem CID174244658
Molecular FormulaC52H31NOS2
Molecular Weight749.96 g/mol
Exact Mass749.18
IUPAC Name6-(9-dibenzothiophen-1-yldibenzothiophen-2-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine
SMILESc1ccc(N(c2ccc3ccccc3c2)c2cccc3c2oc2c(-c4ccc5sc6cccc(-c7cccc8sc9ccccc9c78)c6c5c4)cccc23)cc1
InChIInChI=1S/C52H31NOS2/c1-2-14-35(15-3-1)53(36-28-26-32-12-4-5-13-33(32)30-36)44-22-9-21-41-40-20-8-17-37(51(40)54-52(41)44)34-27-29-46-43(31-34)50-39(19-11-25-48(50)56-46)38-18-10-24-47-49(38)42-16-6-7-23-45(42)55-47/h1-31H
InChIKeyCFXXUOGSEGRJCS-UHFFFAOYSA-N
XLogP16.28
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.96
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine
CID 174244694
N-naphthalen-2-yl-N-phenyl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 164995240
N-dibenzothiophen-2-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396444
N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 167397227
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
CID 170676864
N-dibenzothiophen-2-yl-6-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167396326
N-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396879
N,N-bis(4-naphthalen-2-ylphenyl)-2-(20-oxa-9-thiapentacyclo[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)aniline
CID 164988381
6-[4-(2-naphthalen-2-ylphenyl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 134433049
N-(4-naphthalen-1-ylphenyl)-6-(20-oxa-9-thiapentacyclo[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)-N-(4-phenylphenyl)naphthalen-2-amine
CID 164959536
N-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 167397670
N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(20-oxa-9-thiapentacyclo[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)aniline;N-(4-naphthalen-1-ylphenyl)-3-(20-oxa-9-thiapentacyclo[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)-N-(4-phenylphenyl)aniline;3-(20-oxa-9-thiapentacyclo[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)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 165102502

Frequently Asked Questions

What is the IUPAC name of 6-(9-dibenzothiophen-1-yldibenzothiophen-2-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine?
The IUPAC name of 6-(9-dibenzothiophen-1-yldibenzothiophen-2-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine (CID 174244658) is 6-(9-dibenzothiophen-1-yldibenzothiophen-2-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine.
What is the SMILES notation for 6-(9-dibenzothiophen-1-yldibenzothiophen-2-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine?
The canonical SMILES for 6-(9-dibenzothiophen-1-yldibenzothiophen-2-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine is c1ccc(N(c2ccc3ccccc3c2)c2cccc3c2oc2c(-c4ccc5sc6cccc(-c7cccc8sc9ccccc9c78)c6c5c4)cccc23)cc1.
What is the InChIKey of 6-(9-dibenzothiophen-1-yldibenzothiophen-2-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine?
The InChIKey is CFXXUOGSEGRJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31NOS2/c1-2-14-35(15-3-1)53(36-28-26-32-12-4-5-13-33(32)30-36)44-22-9-21-41-40-20-8-17-37(51(40)54-52(41)44)34-27-29-46-43(31-34)50-39(19-11-25-48(50)56-46)38-18-10-24-47-49(38)42-16-6-7-23-45(42)55-47/h1-31H.
What are the key properties of 6-(9-dibenzothiophen-1-yldibenzothiophen-2-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine?
6-(9-dibenzothiophen-1-yldibenzothiophen-2-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine has a molecular weight of 749.96 g/mol, XLogP of 16.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-dibenzothiophen-1-yldibenzothiophen-2-yl)-N-naphthalen-2-yl-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 174244658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).