N-(7-chlorodibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine

C36H22ClNOS — CID 155773114

IUPACN-(7-chlorodibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine
SMILESClc1ccc2c(c1)sc1c(N(c3cccc(-c4ccccc4)c3)c3ccc4oc5ccccc5c4c3)cccc12
InChIInChI=1S/C36H22ClNOS/c37-25-16-18-29-30-13-7-14-32(36(30)40-35(29)21-25)38(26-11-6-10-24(20-26)23-8-2-1-3-9-23)27-17-19-34-31(22-27)28-12-4-5-15-33(28)39-34/h1-22H
InChIKeyPOVYTNBBELXYRX-UHFFFAOYSA-N
MW552.10 g/mol
LogP11.74
Rot. Bonds4

About N-(7-chlorodibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine

N-(7-chlorodibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine (PubChem CID 155773114) has the molecular formula C36H22ClNOS and a molecular weight of 552.10 g/mol. Its IUPAC name is N-(7-chlorodibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(7-chlorodibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine
PubChem CID155773114
Molecular FormulaC36H22ClNOS
Molecular Weight552.10 g/mol
Exact Mass551.11
IUPAC NameN-(7-chlorodibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine
SMILESClc1ccc2c(c1)sc1c(N(c3cccc(-c4ccccc4)c3)c3ccc4oc5ccccc5c4c3)cccc12
InChIInChI=1S/C36H22ClNOS/c37-25-16-18-29-30-13-7-14-32(36(30)40-35(29)21-25)38(26-11-6-10-24(20-26)23-8-2-1-3-9-23)27-17-19-34-31(22-27)28-12-4-5-15-33(28)39-34/h1-22H
InChIKeyPOVYTNBBELXYRX-UHFFFAOYSA-N
XLogP11.74
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.10
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-[dibenzofuran-3-yl(dibenzothiophen-4-yl)amino]phenyl]phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 167086280
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)dibenzothiophen-4-amine
CID 164955404
N-dibenzothiophen-4-yl-N-(7-phenylphenanthren-2-yl)dibenzofuran-2-amine
CID 163425297
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-(4-dibenzothiophen-3-ylphenyl)-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-2-amine
CID 167396642
7-N-naphtho[1,2-b][1]benzothiol-4-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 170410120
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
CID 139422551
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
CID 176781504
3-N-[2-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-6-N,6-N-diphenyl-3-N-(3-phenylphenyl)dibenzothiophene-3,6-diamine;6-N-dibenzothiophen-3-yl-3-N,9-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-6-N-(4-phenylphenyl)dibenzothiophene-3,6-diamine
CID 161050530
N-dibenzothiophen-4-yl-N-phenyl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-amine
CID 146494386
N-(3-phenyldibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 171434810
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-dibenzothiophen-4-yldibenzofuran-2-amine
CID 167182355

Frequently Asked Questions

What is the IUPAC name of N-(7-chlorodibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-(7-chlorodibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine (CID 155773114) is N-(7-chlorodibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(7-chlorodibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-(7-chlorodibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine is Clc1ccc2c(c1)sc1c(N(c3cccc(-c4ccccc4)c3)c3ccc4oc5ccccc5c4c3)cccc12.
What is the InChIKey of N-(7-chlorodibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is POVYTNBBELXYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22ClNOS/c37-25-16-18-29-30-13-7-14-32(36(30)40-35(29)21-25)38(26-11-6-10-24(20-26)23-8-2-1-3-9-23)27-17-19-34-31(22-27)28-12-4-5-15-33(28)39-34/h1-22H.
What are the key properties of N-(7-chlorodibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine?
N-(7-chlorodibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 552.10 g/mol, XLogP of 11.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chlorodibenzothiophen-4-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 155773114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).