N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-2-amine

C40H23NOS2 — CID 170040034

IUPACN-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-2-amine
SMILESc1ccc2c(c1)oc1ccc(N(c3ccc4c(ccc5sc6ccccc6c54)c3)c3ccc4c(c3)sc3ccccc34)cc12
InChIInChI=1S/C40H23NOS2/c1-4-10-34-29(7-1)33-22-26(16-19-35(33)42-34)41(27-15-18-31-30-8-2-5-11-36(30)44-39(31)23-27)25-14-17-28-24(21-25)13-20-38-40(28)32-9-3-6-12-37(32)43-38/h1-23H
InChIKeyLPTKNMGLBZAIJZ-UHFFFAOYSA-N
MW597.76 g/mol
LogP12.94
Rot. Bonds3

About N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-2-amine

N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-2-amine (PubChem CID 170040034) has the molecular formula C40H23NOS2 and a molecular weight of 597.76 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-2-amine
PubChem CID170040034
Molecular FormulaC40H23NOS2
Molecular Weight597.76 g/mol
Exact Mass597.12
IUPAC NameN-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-2-amine
SMILESc1ccc2c(c1)oc1ccc(N(c3ccc4c(ccc5sc6ccccc6c54)c3)c3ccc4c(c3)sc3ccccc34)cc12
InChIInChI=1S/C40H23NOS2/c1-4-10-34-29(7-1)33-22-26(16-19-35(33)42-34)41(27-15-18-31-30-8-2-5-11-36(30)44-39(31)23-27)25-14-17-28-24(21-25)13-20-38-40(28)32-9-3-6-12-37(32)43-38/h1-23H
InChIKeyLPTKNMGLBZAIJZ-UHFFFAOYSA-N
XLogP12.94
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.76
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yldibenzofuran-2-amine
CID 170039344
N-benzo[g]phenanthren-3-yl-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 167183946
N-dibenzothiophen-3-yl-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-18-amine
CID 170779092
N-(3,4-diphenylphenyl)-N-naphtho[2,1-b][1]benzothiol-9-yldibenzofuran-2-amine
CID 170041268
7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine
CID 166917120
6-N,18-N-di(dibenzofuran-2-yl)-6-N,18-N-bis(4-phenylphenyl)-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 162475623
3-N-dibenzothiophen-3-yl-3-N-(10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-1-N,1-N-diphenylbenzene-1,3-diamine
CID 159064686
N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzothiophen-2-amine
CID 170032426
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-2-amine
CID 146494426
N-dibenzothiophen-3-yl-N-phenylnaphtho[2,1-b][1]benzothiol-2-amine
CID 170039484
N-dibenzothiophen-3-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 170032222
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-2-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-2-amine (CID 170040034) is N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-2-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-2-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-2-amine is c1ccc2c(c1)oc1ccc(N(c3ccc4c(ccc5sc6ccccc6c54)c3)c3ccc4c(c3)sc3ccccc34)cc12.
What is the InChIKey of N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-2-amine?
The InChIKey is LPTKNMGLBZAIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23NOS2/c1-4-10-34-29(7-1)33-22-26(16-19-35(33)42-34)41(27-15-18-31-30-8-2-5-11-36(30)44-39(31)23-27)25-14-17-28-24(21-25)13-20-38-40(28)32-9-3-6-12-37(32)43-38/h1-23H.
What are the key properties of N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-2-amine?
N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-2-amine has a molecular weight of 597.76 g/mol, XLogP of 12.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-2-amine is sourced from PubChem (CID 170040034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).