2-dibenzofuran-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine

C48H31NOS — CID 135277500

IUPAC2-dibenzofuran-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cc5sc6ccccc6c5cc4-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C48H31NOS/c1-3-11-32(12-4-1)33-19-21-34(22-20-33)35-23-26-38(27-24-35)49(37-13-5-2-6-14-37)44-31-48-43(40-16-8-10-18-47(40)51-48)30-41(44)36-25-28-46-42(29-36)39-15-7-9-17-45(39)50-46/h1-31H
InChIKeyJSGXGDBNVBFFJF-UHFFFAOYSA-N
MW669.85 g/mol
LogP14.42
Rot. Bonds6

About 2-dibenzofuran-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine

2-dibenzofuran-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine (PubChem CID 135277500) has the molecular formula C48H31NOS and a molecular weight of 669.85 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine
PubChem CID135277500
Molecular FormulaC48H31NOS
Molecular Weight669.85 g/mol
Exact Mass669.21
IUPAC Name2-dibenzofuran-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cc5sc6ccccc6c5cc4-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C48H31NOS/c1-3-11-32(12-4-1)33-19-21-34(22-20-33)35-23-26-38(27-24-35)49(37-13-5-2-6-14-37)44-31-48-43(40-16-8-10-18-47(40)51-48)30-41(44)36-25-28-46-42(29-36)39-15-7-9-17-45(39)50-46/h1-31H
InChIKeyJSGXGDBNVBFFJF-UHFFFAOYSA-N
XLogP14.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.85
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-dibenzofuran-2-yldibenzothiophen-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 135277469
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
N-[4-(2-dibenzofuran-3-yldibenzothiophen-3-yl)phenyl]-N,4-diphenylaniline
CID 138707755
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-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 121383327
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
2-dibenzofuran-3-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 135277334
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
N-[4-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 121383334
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788545
N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-dibenzothiophen-3-yl-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 158450745

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of 2-dibenzofuran-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine (CID 135277500) is 2-dibenzofuran-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for 2-dibenzofuran-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for 2-dibenzofuran-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cc5sc6ccccc6c5cc4-c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine?
The InChIKey is JSGXGDBNVBFFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NOS/c1-3-11-32(12-4-1)33-19-21-34(22-20-33)35-23-26-38(27-24-35)49(37-13-5-2-6-14-37)44-31-48-43(40-16-8-10-18-47(40)51-48)30-41(44)36-25-28-46-42(29-36)39-15-7-9-17-45(39)50-46/h1-31H.
What are the key properties of 2-dibenzofuran-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine?
2-dibenzofuran-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine has a molecular weight of 669.85 g/mol, XLogP of 14.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 135277500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).