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

C40H23NO2S — CID 170039344

IUPACN-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yldibenzofuran-2-amine
SMILESc1ccc2c(c1)oc1ccc(N(c3ccc4oc5ccccc5c4c3)c3ccc4ccc5sc6ccccc6c5c4c3)cc12
InChIInChI=1S/C40H23NO2S/c1-4-10-34-28(7-1)32-22-26(16-18-36(32)42-34)41(27-17-19-37-33(23-27)29-8-2-5-11-35(29)43-37)25-15-13-24-14-20-39-40(31(24)21-25)30-9-3-6-12-38(30)44-39/h1-23H
InChIKeyKQLAIDMTKHXMES-UHFFFAOYSA-N
MW581.70 g/mol
LogP12.48
Rot. Bonds3

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

N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yldibenzofuran-2-amine (PubChem CID 170039344) has the molecular formula C40H23NO2S and a molecular weight of 581.70 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yldibenzofuran-2-amine
PubChem CID170039344
Molecular FormulaC40H23NO2S
Molecular Weight581.70 g/mol
Exact Mass581.14
IUPAC NameN-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yldibenzofuran-2-amine
SMILESc1ccc2c(c1)oc1ccc(N(c3ccc4oc5ccccc5c4c3)c3ccc4ccc5sc6ccccc6c5c4c3)cc12
InChIInChI=1S/C40H23NO2S/c1-4-10-34-28(7-1)32-22-26(16-18-36(32)42-34)41(27-17-19-37-33(23-27)29-8-2-5-11-35(29)43-37)25-15-13-24-14-20-39-40(31(24)21-25)30-9-3-6-12-38(30)44-39/h1-23H
InChIKeyKQLAIDMTKHXMES-UHFFFAOYSA-N
XLogP12.48
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.70
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-2-amine
CID 170040034
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
CID 170041506
N-(3,4-diphenylphenyl)-N-naphtho[2,1-b][1]benzothiol-9-yldibenzofuran-2-amine
CID 170041268
N-dibenzofuran-2-yl-N-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)dibenzofuran-3-amine;N-dibenzofuran-3-yl-N-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)dibenzofuran-3-amine;N-dibenzothiophen-4-yl-N-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-19-yl)dibenzofuran-3-amine
CID 161110805
N-chrysen-3-yl-N-dibenzothiophen-2-yldibenzofuran-3-amine
CID 170137144
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
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
7-N-dibenzofuran-2-yl-19-N-dibenzothiophen-2-yl-7-N,19-N-diphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 146694397
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
N-(9-phenanthren-2-yldibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 172508758
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenylcarbazol-2-amine
CID 170042535

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yldibenzofuran-2-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yldibenzofuran-2-amine (CID 170039344) is N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yldibenzofuran-2-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yldibenzofuran-2-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yldibenzofuran-2-amine is c1ccc2c(c1)oc1ccc(N(c3ccc4oc5ccccc5c4c3)c3ccc4ccc5sc6ccccc6c5c4c3)cc12.
What is the InChIKey of N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yldibenzofuran-2-amine?
The InChIKey is KQLAIDMTKHXMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23NO2S/c1-4-10-34-28(7-1)32-22-26(16-18-36(32)42-34)41(27-17-19-37-33(23-27)29-8-2-5-11-35(29)43-37)25-15-13-24-14-20-39-40(31(24)21-25)30-9-3-6-12-38(30)44-39/h1-23H.
What are the key properties of N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yldibenzofuran-2-amine?
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yldibenzofuran-2-amine has a molecular weight of 581.70 g/mol, XLogP of 12.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-2-yldibenzofuran-2-amine is sourced from PubChem (CID 170039344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).