8-dibenzofuran-2-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine

C60H40N2OS — CID 153311673

IUPAC8-dibenzofuran-2-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4sc5ccc(-c6ccc7oc8ccccc8c7c6)cc5c4c3)cc2)cc1
InChIInChI=1S/C60H40N2OS/c1-5-15-41(16-6-1)43-25-31-49(32-26-43)61(47-19-9-3-10-20-47)51-39-55-54-38-46(45-29-35-58-53(37-45)52-23-13-14-24-57(52)63-58)30-36-59(54)64-60(55)56(40-51)62(48-21-11-4-12-22-48)50-33-27-44(28-34-50)42-17-7-2-8-18-42/h1-40H
InChIKeyQQBRARVHGVRAGC-UHFFFAOYSA-N
MW837.06 g/mol
LogP17.89
Rot. Bonds9

About 8-dibenzofuran-2-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine

8-dibenzofuran-2-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine (PubChem CID 153311673) has the molecular formula C60H40N2OS and a molecular weight of 837.06 g/mol. Its IUPAC name is 8-dibenzofuran-2-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine.

Molecular Properties

Compound Name8-dibenzofuran-2-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine
PubChem CID153311673
Molecular FormulaC60H40N2OS
Molecular Weight837.06 g/mol
Exact Mass836.29
IUPAC Name8-dibenzofuran-2-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4sc5ccc(-c6ccc7oc8ccccc8c7c6)cc5c4c3)cc2)cc1
InChIInChI=1S/C60H40N2OS/c1-5-15-41(16-6-1)43-25-31-49(32-26-43)61(47-19-9-3-10-20-47)51-39-55-54-38-46(45-29-35-58-53(37-45)52-23-13-14-24-57(52)63-58)30-36-59(54)64-60(55)56(40-51)62(48-21-11-4-12-22-48)50-33-27-44(28-34-50)42-17-7-2-8-18-42/h1-40H
InChIKeyQQBRARVHGVRAGC-UHFFFAOYSA-N
XLogP17.89
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.06
LogP ≤ 517.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,4-N-diphenyl-2-N-[2-(N-phenylanilino)dibenzothiophen-4-yl]-2-N-(4-phenylphenyl)dibenzofuran-2,4-diamine
CID 146550866
2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine
CID 121327989
N-dibenzothiophen-2-yl-N-phenyl-8-[4-[2-(N-phenylanilino)phenyl]phenyl]dibenzofuran-3-amine
CID 155172831
4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline
CID 157275659
5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine
CID 121383373
N-naphtho[1,2-b][1]benzothiol-5-yl-N-phenyl-8-[4-(N-phenylanilino)phenyl]dibenzofuran-3-amine
CID 155172905
3-N,3-N-bis(4-dibenzofuran-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605075
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
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
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
4-[4-(N-[4-(8-dibenzofuran-3-yldibenzothiophen-2-yl)phenyl]anilino)phenyl]-N,N-diphenylaniline
CID 90076231
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428274

Frequently Asked Questions

What is the IUPAC name of 8-dibenzofuran-2-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine?
The IUPAC name of 8-dibenzofuran-2-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine (CID 153311673) is 8-dibenzofuran-2-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine.
What is the SMILES notation for 8-dibenzofuran-2-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine?
The canonical SMILES for 8-dibenzofuran-2-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine is c1ccc(-c2ccc(N(c3ccccc3)c3cc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c4sc5ccc(-c6ccc7oc8ccccc8c7c6)cc5c4c3)cc2)cc1.
What is the InChIKey of 8-dibenzofuran-2-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine?
The InChIKey is QQBRARVHGVRAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2OS/c1-5-15-41(16-6-1)43-25-31-49(32-26-43)61(47-19-9-3-10-20-47)51-39-55-54-38-46(45-29-35-58-53(37-45)52-23-13-14-24-57(52)63-58)30-36-59(54)64-60(55)56(40-51)62(48-21-11-4-12-22-48)50-33-27-44(28-34-50)42-17-7-2-8-18-42/h1-40H.
What are the key properties of 8-dibenzofuran-2-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine?
8-dibenzofuran-2-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine has a molecular weight of 837.06 g/mol, XLogP of 17.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzofuran-2-yl-2-N,4-N-diphenyl-2-N,4-N-bis(4-phenylphenyl)dibenzothiophene-2,4-diamine is sourced from PubChem (CID 153311673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).