N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine

C48H29NOS2 — CID 164949044

IUPACN-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine
SMILESc1ccc2c(c1)oc1cc(-c3ccc(N(c4ccc(-c5cccc6sc7ccccc7c56)cc4)c4cccc5c4sc4ccccc45)cc3)ccc12
InChIInChI=1S/C48H29NOS2/c1-4-15-42-36(9-1)37-28-23-32(29-43(37)50-42)30-19-24-33(25-20-30)49(41-14-7-13-39-38-10-2-5-16-44(38)52-48(39)41)34-26-21-31(22-27-34)35-12-8-18-46-47(35)40-11-3-6-17-45(40)51-46/h1-29H
InChIKeyGIELATBPTLTJOQ-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.13
Rot. Bonds5

About N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine

N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine (PubChem CID 164949044) has the molecular formula C48H29NOS2 and a molecular weight of 699.90 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine
PubChem CID164949044
Molecular FormulaC48H29NOS2
Molecular Weight699.90 g/mol
Exact Mass699.17
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine
SMILESc1ccc2c(c1)oc1cc(-c3ccc(N(c4ccc(-c5cccc6sc7ccccc7c56)cc4)c4cccc5c4sc4ccccc45)cc3)ccc12
InChIInChI=1S/C48H29NOS2/c1-4-15-42-36(9-1)37-28-23-32(29-43(37)50-42)30-19-24-33(25-20-30)49(41-14-7-13-39-38-10-2-5-16-44(38)52-48(39)41)34-26-21-31(22-27-34)35-12-8-18-46-47(35)40-11-3-6-17-45(40)51-46/h1-29H
InChIKeyGIELATBPTLTJOQ-UHFFFAOYSA-N
XLogP15.13
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 515.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine
CID 164955404
N-(4-dibenzofuran-3-ylphenyl)-N,1-diphenyldibenzothiophen-4-amine
CID 171435391
4-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)aniline
CID 164835628
N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167086280
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 174322209
N,N-bis(4-naphthalen-1-ylphenyl)-8-phenylphenanthren-1-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-(8-phenylphenanthren-1-yl)dibenzothiophen-4-amine;N-(4-naphthalen-1-ylphenyl)-8-phenyl-N-(4-phenylphenyl)phenanthren-1-amine
CID 157163450
N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396642
N-(1-phenyldibenzothiophen-4-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 171434983
2-[3-[5-[7-[4-(4-dibenzothiophen-1-yl-N-[2-(3-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]dibenzofuran-2-yl]naphthalen-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 170015375
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 164974665
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
CID 164972461
N-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073445

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine (CID 164949044) is N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine is c1ccc2c(c1)oc1cc(-c3ccc(N(c4ccc(-c5cccc6sc7ccccc7c56)cc4)c4cccc5c4sc4ccccc45)cc3)ccc12.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine?
The InChIKey is GIELATBPTLTJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NOS2/c1-4-15-42-36(9-1)37-28-23-32(29-43(37)50-42)30-19-24-33(25-20-30)49(41-14-7-13-39-38-10-2-5-16-44(38)52-48(39)41)34-26-21-31(22-27-34)35-12-8-18-46-47(35)40-11-3-6-17-45(40)51-46/h1-29H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine?
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine has a molecular weight of 699.90 g/mol, XLogP of 15.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 164949044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).