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

C48H29NOS2 — CID 164971694

IUPACN-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
SMILESc1ccc2c(c1)oc1c(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cccc12
InChIInChI=1S/C48H29NOS2/c1-4-16-43-36(9-1)40-13-8-15-42(47(40)50-43)49(33-24-19-30(20-25-33)32-23-28-39-37-10-2-5-17-44(37)51-46(39)29-32)34-26-21-31(22-27-34)35-12-7-14-41-38-11-3-6-18-45(38)52-48(35)41/h1-29H
InChIKeyNKNBOYOAAPLHCP-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.13
Rot. Bonds5

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

N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine (PubChem CID 164971694) has the molecular formula C48H29NOS2 and a molecular weight of 699.90 g/mol. Its IUPAC name is N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
PubChem CID164971694
Molecular FormulaC48H29NOS2
Molecular Weight699.90 g/mol
Exact Mass699.17
IUPAC NameN-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
SMILESc1ccc2c(c1)oc1c(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cccc12
InChIInChI=1S/C48H29NOS2/c1-4-16-43-36(9-1)40-13-8-15-42(47(40)50-43)49(33-24-19-30(20-25-33)32-23-28-39-37-10-2-5-17-44(37)51-46(39)29-32)34-26-21-31(22-27-34)35-12-7-14-41-38-11-3-6-18-45(38)52-48(35)41/h1-29H
InChIKeyNKNBOYOAAPLHCP-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-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
CID 165023327
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
CID 164972461
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-dibenzothiophen-3-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-4-amine
CID 167397265
N-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396642
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 154605617
4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406191
N-(6-phenyldibenzothiophen-1-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 163482612
N-dibenzothiophen-3-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163957586
N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-3-amine
CID 168804690
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 158802733

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine (CID 164971694) is N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine is c1ccc2c(c1)oc1c(N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)cccc12.
What is the InChIKey of N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine?
The InChIKey is NKNBOYOAAPLHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NOS2/c1-4-16-43-36(9-1)40-13-8-15-42(47(40)50-43)49(33-24-19-30(20-25-33)32-23-28-39-37-10-2-5-17-44(37)51-46(39)29-32)34-26-21-31(22-27-34)35-12-7-14-41-38-11-3-6-18-45(38)52-48(35)41/h1-29H.
What are the key properties of N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine?
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-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-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 164971694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).