N-dibenzothiophen-1-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-1-amine

C40H25NOS — CID 163628831

IUPACN-dibenzothiophen-1-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc3cc(N(c4cccc5oc6ccccc6c45)c4cccc5sc6ccccc6c45)ccc3c2)cc1
InChIInChI=1S/C40H25NOS/c1-2-10-26(11-3-1)27-20-21-29-25-30(23-22-28(29)24-27)41(33-14-8-17-36-39(33)31-12-4-6-16-35(31)42-36)34-15-9-19-38-40(34)32-13-5-7-18-37(32)43-38/h1-25H
InChIKeyZORYEFIAJVTIHN-UHFFFAOYSA-N
MW567.71 g/mol
LogP12.24
Rot. Bonds4

About N-dibenzothiophen-1-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-1-amine

N-dibenzothiophen-1-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-1-amine (PubChem CID 163628831) has the molecular formula C40H25NOS and a molecular weight of 567.71 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-1-amine
PubChem CID163628831
Molecular FormulaC40H25NOS
Molecular Weight567.71 g/mol
Exact Mass567.17
IUPAC NameN-dibenzothiophen-1-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccc3cc(N(c4cccc5oc6ccccc6c45)c4cccc5sc6ccccc6c45)ccc3c2)cc1
InChIInChI=1S/C40H25NOS/c1-2-10-26(11-3-1)27-20-21-29-25-30(23-22-28(29)24-27)41(33-14-8-17-36-39(33)31-12-4-6-16-35(31)42-36)34-15-9-19-38-40(34)32-13-5-7-18-37(32)43-38/h1-25H
InChIKeyZORYEFIAJVTIHN-UHFFFAOYSA-N
XLogP12.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.71
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-4-yl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605749
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 170040172
N-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 163686453
N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-(3-phenylphenyl)dibenzothiophen-1-amine
CID 174256379
N-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170126820
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155187018
N-naphthalen-1-yl-N-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzofuran-1-amine
CID 174256291
N-phenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzothiophen-1-amine
CID 174255832
N-dibenzothiophen-1-yl-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 167324324
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-3-amine;N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine;N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 159106668
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325717
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186790

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-1-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-1-amine (CID 163628831) is N-dibenzothiophen-1-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-1-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-1-amine is c1ccc(-c2ccc3cc(N(c4cccc5oc6ccccc6c45)c4cccc5sc6ccccc6c45)ccc3c2)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-1-amine?
The InChIKey is ZORYEFIAJVTIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NOS/c1-2-10-26(11-3-1)27-20-21-29-25-30(23-22-28(29)24-27)41(33-14-8-17-36-39(33)31-12-4-6-16-35(31)42-36)34-15-9-19-38-40(34)32-13-5-7-18-37(32)43-38/h1-25H.
What are the key properties of N-dibenzothiophen-1-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-1-amine?
N-dibenzothiophen-1-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-1-amine has a molecular weight of 567.71 g/mol, XLogP of 12.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-1-amine is sourced from PubChem (CID 163628831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).