6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine

C52H32N2O2S — CID 167208628

IUPAC6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine
SMILESc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3oc4c(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc5ccccc5c4c3c2)cc1
InChIInChI=1S/C52H32N2O2S/c1-3-14-34(15-4-1)53(38-23-26-42-41-20-10-12-22-49(41)57-50(42)32-38)36-24-28-48-44(31-36)51-39-18-8-7-13-33(39)29-45(52(51)56-48)54(35-16-5-2-6-17-35)37-25-27-47-43(30-37)40-19-9-11-21-46(40)55-47/h1-32H
InChIKeyYCHPINHIYJHHAD-UHFFFAOYSA-N
MW748.91 g/mol
LogP15.95
Rot. Bonds6

About 6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine

6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine (PubChem CID 167208628) has the molecular formula C52H32N2O2S and a molecular weight of 748.91 g/mol. Its IUPAC name is 6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine.

Molecular Properties

Compound Name6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine
PubChem CID167208628
Molecular FormulaC52H32N2O2S
Molecular Weight748.91 g/mol
Exact Mass748.22
IUPAC Name6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine
SMILESc1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3oc4c(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc5ccccc5c4c3c2)cc1
InChIInChI=1S/C52H32N2O2S/c1-3-14-34(15-4-1)53(38-23-26-42-41-20-10-12-22-49(41)57-50(42)32-38)36-24-28-48-44(31-36)51-39-18-8-7-13-33(39)29-45(52(51)56-48)54(35-16-5-2-6-17-35)37-25-27-47-43(30-37)40-19-9-11-21-46(40)55-47/h1-32H
InChIKeyYCHPINHIYJHHAD-UHFFFAOYSA-N
XLogP15.95
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.91
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-dibenzofuran-3-yl-10-N-dibenzothiophen-3-yl-2-N,10-N-diphenylphenanthrene-2,10-diamine
CID 170410775
3-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-4-methyl-3-N,10-N-diphenylphenanthrene-3,10-diamine
CID 170284022
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-6-amine
CID 170032563
1-N-dibenzothiophen-3-yl-1-N,8-N,8-N-triphenyldibenzofuran-1,8-diamine
CID 146573630
8-N,22-N-di(dibenzofuran-2-yl)-8-N,22-N-diphenyl-11,15,19-trithiaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5(10),6,8,12,17,20(25),21,23,26-dodecaene-8,22-diamine
CID 170235194
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-dibenzothiophen-3-yl-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-2-amine
CID 170040034
3-N-dibenzothiophen-3-yl-1-N,1-N,3-N,8-N,8-N-pentakis-phenyldibenzofuran-1,3,8-triamine
CID 155173000
N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-2-amine;N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzofuran-3-amine;N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-phenanthren-9-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 160677532
N-naphtho[2,3-b][1]benzothiol-2-yl-N-phenyldibenzofuran-2-amine
CID 164799718
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
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

Frequently Asked Questions

What is the IUPAC name of 6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine?
The IUPAC name of 6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine (CID 167208628) is 6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine.
What is the SMILES notation for 6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine?
The canonical SMILES for 6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine is c1ccc(N(c2ccc3c(c2)sc2ccccc23)c2ccc3oc4c(N(c5ccccc5)c5ccc6oc7ccccc7c6c5)cc5ccccc5c4c3c2)cc1.
What is the InChIKey of 6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine?
The InChIKey is YCHPINHIYJHHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O2S/c1-3-14-34(15-4-1)53(38-23-26-42-41-20-10-12-22-49(41)57-50(42)32-38)36-24-28-48-44(31-36)51-39-18-8-7-13-33(39)29-45(52(51)56-48)54(35-16-5-2-6-17-35)37-25-27-47-43(30-37)40-19-9-11-21-46(40)55-47/h1-32H.
What are the key properties of 6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine?
6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine has a molecular weight of 748.91 g/mol, XLogP of 15.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-dibenzofuran-2-yl-10-N-dibenzothiophen-3-yl-6-N,10-N-diphenylnaphtho[2,1-b][1]benzofuran-6,10-diamine is sourced from PubChem (CID 167208628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).