7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine

C48H32N2OS — CID 146573933

IUPAC7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3cc(N(c5ccccc5)c5ccccc5)ccc34)c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C48H32N2OS/c1-4-12-33(13-5-1)34-20-22-37(23-21-34)50(40-26-29-44-43-18-10-11-19-47(43)52-48(44)32-40)39-25-28-42-41-27-24-38(30-45(41)51-46(42)31-39)49(35-14-6-2-7-15-35)36-16-8-3-9-17-36/h1-32H
InChIKeySEUIMOHHSIEUEP-UHFFFAOYSA-N
MW684.86 g/mol
LogP14.56
Rot. Bonds7

About 7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine

7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine (PubChem CID 146573933) has the molecular formula C48H32N2OS and a molecular weight of 684.86 g/mol. Its IUPAC name is 7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine.

Molecular Properties

Compound Name7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine
PubChem CID146573933
Molecular FormulaC48H32N2OS
Molecular Weight684.86 g/mol
Exact Mass684.22
IUPAC Name7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3cc(N(c5ccccc5)c5ccccc5)ccc34)c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C48H32N2OS/c1-4-12-33(13-5-1)34-20-22-37(23-21-34)50(40-26-29-44-43-18-10-11-19-47(43)52-48(44)32-40)39-25-28-42-41-27-24-38(30-45(41)51-46(42)31-39)49(35-14-6-2-7-15-35)36-16-8-3-9-17-36/h1-32H
InChIKeySEUIMOHHSIEUEP-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-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine with MolForge

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Related Compounds

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
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
CID 176781504
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
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
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217
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
N-[4-(7-phenyldibenzofuran-3-yl)phenyl]-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine
CID 140709047
N-dibenzothiophen-3-yl-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N,2-diphenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine;N-(2-phenyldibenzothiophen-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-4-(4-phenylphenyl)aniline;4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 163873163
7-N-dibenzofuran-3-yl-2-N-dibenzothiophen-3-yl-2-N,7-N-diphenylnaphthalene-2,7-diamine
CID 166917120
1-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,7-diamine
CID 146574153

Frequently Asked Questions

What is the IUPAC name of 7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine?
The IUPAC name of 7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine (CID 146573933) is 7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine.
What is the SMILES notation for 7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine?
The canonical SMILES for 7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3cc(N(c5ccccc5)c5ccccc5)ccc34)c3ccc4c(c3)sc3ccccc34)cc2)cc1.
What is the InChIKey of 7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine?
The InChIKey is SEUIMOHHSIEUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2OS/c1-4-12-33(13-5-1)34-20-22-37(23-21-34)50(40-26-29-44-43-18-10-11-19-47(43)52-48(44)32-40)39-25-28-42-41-27-24-38(30-45(41)51-46(42)31-39)49(35-14-6-2-7-15-35)36-16-8-3-9-17-36/h1-32H.
What are the key properties of 7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine?
7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-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-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine is sourced from PubChem (CID 146573933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).