6-cyclohexyl-N-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine

C46H35NOS — CID 167397481

IUPAC6-cyclohexyl-N-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
SMILESc1ccc2c(-c3ccc(N(c4cccc5c4oc4c(C6CCCCC6)cccc45)c4cccc5sc6ccccc6c45)cc3)cccc2c1
InChIInChI=1S/C46H35NOS/c1-2-12-31(13-3-1)36-19-9-20-37-38-21-10-23-41(46(38)48-45(36)37)47(40-22-11-25-43-44(40)39-17-6-7-24-42(39)49-43)33-28-26-32(27-29-33)35-18-8-15-30-14-4-5-16-34(30)35/h4-11,14-29,31H,1-3,12-13H2
InChIKeyKNMDXVWYZOZALJ-UHFFFAOYSA-N
MW649.86 g/mol
LogP14.29
Rot. Bonds5

About 6-cyclohexyl-N-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine

6-cyclohexyl-N-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine (PubChem CID 167397481) has the molecular formula C46H35NOS and a molecular weight of 649.86 g/mol. Its IUPAC name is 6-cyclohexyl-N-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name6-cyclohexyl-N-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
PubChem CID167397481
Molecular FormulaC46H35NOS
Molecular Weight649.86 g/mol
Exact Mass649.24
IUPAC Name6-cyclohexyl-N-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
SMILESc1ccc2c(-c3ccc(N(c4cccc5c4oc4c(C6CCCCC6)cccc45)c4cccc5sc6ccccc6c45)cc3)cccc2c1
InChIInChI=1S/C46H35NOS/c1-2-12-31(13-3-1)36-19-9-20-37-38-21-10-23-41(46(38)48-45(36)37)47(40-22-11-25-43-44(40)39-17-6-7-24-42(39)49-43)33-28-26-32(27-29-33)35-18-8-15-30-14-4-5-16-34(30)35/h4-11,14-29,31H,1-3,12-13H2
InChIKeyKNMDXVWYZOZALJ-UHFFFAOYSA-N
XLogP14.29
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.86
LogP ≤ 514.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclohexyl-N-[4-(9H-fluoren-1-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 167397853
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 170300855
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 170296073
N-(4-naphthalen-1-ylphenyl)-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 139363107
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-1-amine
CID 170300901
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-4-amine
CID 170300693
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-4-dibenzothiophen-1-yl-2-methyl-N-(4-phenanthren-1-ylphenyl)aniline
CID 170301018
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzothiophen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 170296068
4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 90263193
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-1-yl-N-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326359
N-(2-phenylphenyl)-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(19),15,17-nonaen-18-amine
CID 165017438
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167235577

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-N-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
The IUPAC name of 6-cyclohexyl-N-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine (CID 167397481) is 6-cyclohexyl-N-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 6-cyclohexyl-N-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 6-cyclohexyl-N-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine is c1ccc2c(-c3ccc(N(c4cccc5c4oc4c(C6CCCCC6)cccc45)c4cccc5sc6ccccc6c45)cc3)cccc2c1.
What is the InChIKey of 6-cyclohexyl-N-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
The InChIKey is KNMDXVWYZOZALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35NOS/c1-2-12-31(13-3-1)36-19-9-20-37-38-21-10-23-41(46(38)48-45(36)37)47(40-22-11-25-43-44(40)39-17-6-7-24-42(39)49-43)33-28-26-32(27-29-33)35-18-8-15-30-14-4-5-16-34(30)35/h4-11,14-29,31H,1-3,12-13H2.
What are the key properties of 6-cyclohexyl-N-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine?
6-cyclohexyl-N-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine has a molecular weight of 649.86 g/mol, XLogP of 14.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-N-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 167397481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).