N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine

C46H29NOS — CID 167234079

IUPACN-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2cccc3c2oc2ccccc23)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C46H29NOS/c1-2-13-31(14-3-1)35-28-27-32(34-20-10-16-30-15-4-5-17-33(30)34)29-41(35)47(39-22-12-26-44-45(39)38-19-7-9-25-43(38)49-44)40-23-11-21-37-36-18-6-8-24-42(36)48-46(37)40/h1-29H
InChIKeyMULVDSBZUONIJV-UHFFFAOYSA-N
MW643.81 g/mol
LogP13.91
Rot. Bonds5

About N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine

N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine (PubChem CID 167234079) has the molecular formula C46H29NOS and a molecular weight of 643.81 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine
PubChem CID167234079
Molecular FormulaC46H29NOS
Molecular Weight643.81 g/mol
Exact Mass643.20
IUPAC NameN-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2cccc3c2oc2ccccc23)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C46H29NOS/c1-2-13-31(14-3-1)35-28-27-32(34-20-10-16-30-15-4-5-17-33(30)34)29-41(35)47(39-22-12-26-44-45(39)38-19-7-9-25-43(38)49-44)40-23-11-21-37-36-18-6-8-24-42(36)48-46(37)40/h1-29H
InChIKeyMULVDSBZUONIJV-UHFFFAOYSA-N
XLogP13.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.81
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167234172
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167235577
N-(2-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-1-amine
CID 167235873
N-(2-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 167326338
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 163499042
N-(3-dibenzothiophen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 168767291
N-dibenzothiophen-1-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805096
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-1-amine
CID 170676842
N-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069291
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 164973478
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767167
N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 167325008

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine (CID 167234079) is N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(-c3cccc4ccccc34)cc2N(c2cccc3c2oc2ccccc23)c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is MULVDSBZUONIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NOS/c1-2-13-31(14-3-1)35-28-27-32(34-20-10-16-30-15-4-5-17-33(30)34)29-41(35)47(39-22-12-26-44-45(39)38-19-7-9-25-43(38)49-44)40-23-11-21-37-36-18-6-8-24-42(36)48-46(37)40/h1-29H.
What are the key properties of N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine?
N-dibenzothiophen-1-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 643.81 g/mol, XLogP of 13.91, 5 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-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 167234079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).