7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine

C46H30N2OS — CID 155172930

IUPAC7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4cc(N(c5ccc6ccccc6c5)c5cccc6sc7ccccc7c56)ccc4c3c2)cc1
InChIInChI=1S/C46H30N2OS/c1-3-14-33(15-4-1)47(34-16-5-2-6-17-34)36-25-27-42-40(29-36)38-26-24-37(30-43(38)49-42)48(35-23-22-31-12-7-8-13-32(31)28-35)41-19-11-21-45-46(41)39-18-9-10-20-44(39)50-45/h1-30H
InChIKeyVTHRCMYDPSSJDW-UHFFFAOYSA-N
MW658.83 g/mol
LogP14.05
Rot. Bonds6

About 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine

7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine (PubChem CID 155172930) has the molecular formula C46H30N2OS and a molecular weight of 658.83 g/mol. Its IUPAC name is 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine.

Molecular Properties

Compound Name7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine
PubChem CID155172930
Molecular FormulaC46H30N2OS
Molecular Weight658.83 g/mol
Exact Mass658.21
IUPAC Name7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4cc(N(c5ccc6ccccc6c5)c5cccc6sc7ccccc7c56)ccc4c3c2)cc1
InChIInChI=1S/C46H30N2OS/c1-3-14-33(15-4-1)47(34-16-5-2-6-17-34)36-25-27-42-40(29-36)38-26-24-37(30-43(38)49-42)48(35-23-22-31-12-7-8-13-32(31)28-35)41-19-11-21-45-46(41)39-18-9-10-20-44(39)50-45/h1-30H
InChIKeyVTHRCMYDPSSJDW-UHFFFAOYSA-N
XLogP14.05
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.83
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-N-dibenzofuran-3-yl-7-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,7-diamine
CID 146574115
1-N-dibenzofuran-3-yl-1-N,8-N,8-N-triphenyldibenzothiophene-1,8-diamine
CID 146580399
1-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,7-diamine
CID 146574153
N-dibenzofuran-1-yl-N-phenyl-22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-amine;N-dibenzothiophen-1-yl-N-phenyl-22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-amine;N,N-diphenyl-22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-amine
CID 164975456
7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine
CID 166917120
7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 158872648
1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine
CID 158546525
8-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N,8-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzofuran-3-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-4-yl-8-N-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetraphenyldibenzothiophene-1,3,8-triamine;8-N-dibenzothiophen-1-yl-1-N,1-N,3-N,3-N,8-N-pentakis-phenyldibenzothiophene-1,3,8-triamine
CID 157450308
7-N-naphtho[1,2-b][1]benzothiol-4-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 170410120
7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-8-yl-2-N,2-N,7-N,6-tetraphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzofuran-5-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine;7-N-naphtho[1,2-b][1]benzothiol-8-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 159586854
1-N-dibenzothiophen-3-yl-1-N,8-N,8-N-triphenyldibenzofuran-1,8-diamine
CID 146573630
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzofuran-1,8-diamine
CID 146573619

Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine?
The IUPAC name of 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine (CID 155172930) is 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine.
What is the SMILES notation for 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine?
The canonical SMILES for 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine is c1ccc(N(c2ccccc2)c2ccc3oc4cc(N(c5ccc6ccccc6c5)c5cccc6sc7ccccc7c56)ccc4c3c2)cc1.
What is the InChIKey of 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine?
The InChIKey is VTHRCMYDPSSJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2OS/c1-3-14-33(15-4-1)47(34-16-5-2-6-17-34)36-25-27-42-40(29-36)38-26-24-37(30-43(38)49-42)48(35-23-22-31-12-7-8-13-32(31)28-35)41-19-11-21-45-46(41)39-18-9-10-20-44(39)50-45/h1-30H.
What are the key properties of 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine?
7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine has a molecular weight of 658.83 g/mol, XLogP of 14.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-dibenzothiophen-1-yl-7-N-naphthalen-2-yl-2-N,2-N-diphenyldibenzofuran-2,7-diamine is sourced from PubChem (CID 155172930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).