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

C48H32N2OS — CID 176781504

IUPAC7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)oc3ccc(N(c5ccccc5)c5ccccc5)cc34)c3ccc4c(c3)sc3ccccc34)c2)cc1
InChIInChI=1S/C48H32N2OS/c1-4-13-33(14-5-1)34-15-12-20-37(29-34)50(40-24-27-43-42-21-10-11-22-47(42)52-48(43)32-40)39-23-26-41-44-30-38(25-28-45(44)51-46(41)31-39)49(35-16-6-2-7-17-35)36-18-8-3-9-19-36/h1-32H
InChIKeyDUBUKVOLUCNTDK-UHFFFAOYSA-N
MW684.86 g/mol
LogP14.56
Rot. Bonds7

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

7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine (PubChem CID 176781504) has the molecular formula C48H32N2OS and a molecular weight of 684.86 g/mol. Its IUPAC name is 7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine.

Molecular Properties

Compound Name7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
PubChem CID176781504
Molecular FormulaC48H32N2OS
Molecular Weight684.86 g/mol
Exact Mass684.22
IUPAC Name7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)oc3ccc(N(c5ccccc5)c5ccccc5)cc34)c3ccc4c(c3)sc3ccccc34)c2)cc1
InChIInChI=1S/C48H32N2OS/c1-4-13-33(14-5-1)34-15-12-20-37(29-34)50(40-24-27-43-42-21-10-11-22-47(42)52-48(43)32-40)39-23-26-41-44-30-38(25-28-45(44)51-46(41)31-39)49(35-16-6-2-7-17-35)36-18-8-3-9-19-36/h1-32H
InChIKeyDUBUKVOLUCNTDK-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-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-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-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
CID 139422551
7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 146573933
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
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
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
5-[7-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]dibenzofuran-2-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588601
N-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073445
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 170033292

Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine?
The IUPAC name of 7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine (CID 176781504) is 7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine.
What is the SMILES notation for 7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine?
The canonical SMILES for 7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine is c1ccc(-c2cccc(N(c3ccc4c(c3)oc3ccc(N(c5ccccc5)c5ccccc5)cc34)c3ccc4c(c3)sc3ccccc34)c2)cc1.
What is the InChIKey of 7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine?
The InChIKey is DUBUKVOLUCNTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2OS/c1-4-13-33(14-5-1)34-15-12-20-37(29-34)50(40-24-27-43-42-21-10-11-22-47(42)52-48(43)32-40)39-23-26-41-44-30-38(25-28-45(44)51-46(41)31-39)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-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine?
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-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-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine is sourced from PubChem (CID 176781504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).