N-(7-chlorodibenzothiophen-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine

C34H20ClNOS — CID 130327193

IUPACN-(7-chlorodibenzothiophen-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine
SMILESClc1ccc2c(c1)sc1ccc(N(c3cccc4ccccc34)c3cccc4c3oc3ccccc34)cc12
InChIInChI=1S/C34H20ClNOS/c35-22-15-17-26-28-20-23(16-18-32(28)38-33(26)19-22)36(29-12-5-8-21-7-1-2-9-24(21)29)30-13-6-11-27-25-10-3-4-14-31(25)37-34(27)30/h1-20H
InChIKeyDRLMIDSIBZGBIF-UHFFFAOYSA-N
MW526.06 g/mol
LogP11.23
Rot. Bonds3

About N-(7-chlorodibenzothiophen-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine

N-(7-chlorodibenzothiophen-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine (PubChem CID 130327193) has the molecular formula C34H20ClNOS and a molecular weight of 526.06 g/mol. Its IUPAC name is N-(7-chlorodibenzothiophen-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(7-chlorodibenzothiophen-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine
PubChem CID130327193
Molecular FormulaC34H20ClNOS
Molecular Weight526.06 g/mol
Exact Mass525.10
IUPAC NameN-(7-chlorodibenzothiophen-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine
SMILESClc1ccc2c(c1)sc1ccc(N(c3cccc4ccccc34)c3cccc4c3oc3ccccc34)cc12
InChIInChI=1S/C34H20ClNOS/c35-22-15-17-26-28-20-23(16-18-32(28)38-33(26)19-22)36(29-12-5-8-21-7-1-2-9-24(21)29)30-13-6-11-27-25-10-3-4-14-31(25)37-34(27)30/h1-20H
InChIKeyDRLMIDSIBZGBIF-UHFFFAOYSA-N
XLogP11.23
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.06
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-naphthalen-1-yl-N-phenyldibenzothiophen-2-amine
CID 155773213
N-(23-thiahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-19-yl)-N-triphenylen-2-yldibenzofuran-4-amine
CID 146494934
5-N,19-N-di(dibenzofuran-2-yl)-5-N,19-N-di(dibenzofuran-4-yl)-23-thiahexacyclo[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(22),18,20-dodecaene-5,19-diamine
CID 146494248
N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-2-amine
CID 167277467
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yldibenzofuran-1-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-naphthalen-1-yldibenzothiophen-3-amine
CID 161075532
N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine
CID 167329695
N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
CID 161104445
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine
CID 89254464
N-dibenzofuran-1-yl-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 177122312
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 163499042
N-(2-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 167326338
7-N-[8-[dibenzofuran-4-yl(naphthalen-2-yl)amino]dibenzothiophen-3-yl]-7-N-naphthalen-1-yl-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N-phenyldibenzothiophene-2,7-diamine;7-N-[8-(N-dibenzothiophen-3-yl-4-phenylanilino)dibenzothiophen-3-yl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 160895207

Frequently Asked Questions

What is the IUPAC name of N-(7-chlorodibenzothiophen-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine?
The IUPAC name of N-(7-chlorodibenzothiophen-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine (CID 130327193) is N-(7-chlorodibenzothiophen-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine.
What is the SMILES notation for N-(7-chlorodibenzothiophen-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine?
The canonical SMILES for N-(7-chlorodibenzothiophen-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine is Clc1ccc2c(c1)sc1ccc(N(c3cccc4ccccc34)c3cccc4c3oc3ccccc34)cc12.
What is the InChIKey of N-(7-chlorodibenzothiophen-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine?
The InChIKey is DRLMIDSIBZGBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20ClNOS/c35-22-15-17-26-28-20-23(16-18-32(28)38-33(26)19-22)36(29-12-5-8-21-7-1-2-9-24(21)29)30-13-6-11-27-25-10-3-4-14-31(25)37-34(27)30/h1-20H.
What are the key properties of N-(7-chlorodibenzothiophen-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine?
N-(7-chlorodibenzothiophen-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine has a molecular weight of 526.06 g/mol, XLogP of 11.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chlorodibenzothiophen-2-yl)-N-naphthalen-1-yldibenzofuran-4-amine is sourced from PubChem (CID 130327193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).