7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine

C48H32N2OS — CID 139422551

IUPAC7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)c3ccc4oc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C48H32N2OS/c1-4-13-33(14-5-1)34-15-12-20-37(29-34)50(38-24-27-46-43(30-38)41-21-10-11-22-45(41)51-46)40-23-26-42-44-31-39(25-28-47(44)52-48(42)32-40)49(35-16-6-2-7-17-35)36-18-8-3-9-19-36/h1-32H
InChIKeyLXZNPPMWXNQKMH-UHFFFAOYSA-N
MW684.86 g/mol
LogP14.56
Rot. Bonds7

About 7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine

7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine (PubChem CID 139422551) has the molecular formula C48H32N2OS and a molecular weight of 684.86 g/mol. Its IUPAC name is 7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine.

Molecular Properties

Compound Name7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
PubChem CID139422551
Molecular FormulaC48H32N2OS
Molecular Weight684.86 g/mol
Exact Mass684.22
IUPAC Name7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)c3ccc4oc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C48H32N2OS/c1-4-13-33(14-5-1)34-15-12-20-37(29-34)50(38-24-27-46-43(30-38)41-21-10-11-22-45(41)51-46)40-23-26-42-44-31-39(25-28-47(44)52-48(42)32-40)49(35-16-6-2-7-17-35)36-18-8-3-9-19-36/h1-32H
InChIKeyLXZNPPMWXNQKMH-UHFFFAOYSA-N
XLogP14.56
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.86
LogP ≤ 514.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine with MolForge

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Related Compounds

7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 161416288
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
CID 176781504
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
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-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
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
2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131979910
N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-(4-tritylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-tritylphenyl)aniline;N-(4-phenylphenyl)-N-(4-tritylphenyl)dibenzofuran-2-amine
CID 158769346
4-[7-(3-dibenzofuran-3-ylphenyl)dibenzothiophen-2-yl]-N,N-diphenylaniline
CID 90076355
8-(6-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 174244859
7-N-dibenzofuran-2-yl-2-N-phenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 131980025

Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine?
The IUPAC name of 7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine (CID 139422551) is 7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine.
What is the SMILES notation for 7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine?
The canonical SMILES for 7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine is c1ccc(-c2cccc(N(c3ccc4c(c3)sc3ccc(N(c5ccccc5)c5ccccc5)cc34)c3ccc4oc5ccccc5c4c3)c2)cc1.
What is the InChIKey of 7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine?
The InChIKey is LXZNPPMWXNQKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2OS/c1-4-13-33(14-5-1)34-15-12-20-37(29-34)50(38-24-27-46-43(30-38)41-21-10-11-22-45(41)51-46)40-23-26-42-44-31-39(25-28-47(44)52-48(42)32-40)49(35-16-6-2-7-17-35)36-18-8-3-9-19-36/h1-32H.
What are the key properties of 7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine?
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine has a molecular weight of 684.86 g/mol, XLogP of 14.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine is sourced from PubChem (CID 139422551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).