N-dibenzothiophen-1-yl-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine

C38H23NOS — CID 177122272

IUPACN-dibenzothiophen-1-yl-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc2c(N(c3cccc4c3oc3c5ccccc5ccc43)c3cccc4sc5ccccc5c34)cccc2c1
InChIInChI=1S/C38H23NOS/c1-3-13-26-24(10-1)12-7-17-31(26)39(32-18-9-21-35-36(32)30-15-5-6-20-34(30)41-35)33-19-8-16-28-29-23-22-25-11-2-4-14-27(25)37(29)40-38(28)33/h1-23H
InChIKeyJUEXUTVPNCVUJF-UHFFFAOYSA-N
MW541.68 g/mol
LogP11.73
Rot. Bonds3

About N-dibenzothiophen-1-yl-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine

N-dibenzothiophen-1-yl-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 177122272) has the molecular formula C38H23NOS and a molecular weight of 541.68 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine
PubChem CID177122272
Molecular FormulaC38H23NOS
Molecular Weight541.68 g/mol
Exact Mass541.15
IUPAC NameN-dibenzothiophen-1-yl-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc2c(N(c3cccc4c3oc3c5ccccc5ccc43)c3cccc4sc5ccccc5c34)cccc2c1
InChIInChI=1S/C38H23NOS/c1-3-13-26-24(10-1)12-7-17-31(26)39(32-18-9-21-35-36(32)30-15-5-6-20-34(30)41-35)33-19-8-16-28-29-23-22-25-11-2-4-14-27(25)37(29)40-38(28)33/h1-23H
InChIKeyJUEXUTVPNCVUJF-UHFFFAOYSA-N
XLogP11.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.68
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-1-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 177121474
N-dibenzothiophen-1-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738264
N-dibenzofuran-1-yl-N-dibenzothiophen-3-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 177122312
N,N-di(dibenzofuran-4-yl)-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 165024486
N,N-di(dibenzofuran-4-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804104
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
10-(10-dibenzothiophen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 122415638
4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 170372536
N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine
CID 167234079
N-[4-(20-oxa-9-thiapentacyclo[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-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 165040443
N-dibenzothiophen-4-yl-N-(2-dibenzothiophen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739302
N-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-1-amine
CID 167325431

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine (CID 177122272) is N-dibenzothiophen-1-yl-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine is c1ccc2c(N(c3cccc4c3oc3c5ccccc5ccc43)c3cccc4sc5ccccc5c34)cccc2c1.
What is the InChIKey of N-dibenzothiophen-1-yl-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is JUEXUTVPNCVUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NOS/c1-3-13-26-24(10-1)12-7-17-31(26)39(32-18-9-21-35-36(32)30-15-5-6-20-34(30)41-35)33-19-8-16-28-29-23-22-25-11-2-4-14-27(25)37(29)40-38(28)33/h1-23H.
What are the key properties of N-dibenzothiophen-1-yl-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine?
N-dibenzothiophen-1-yl-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 541.68 g/mol, XLogP of 11.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 177122272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).