6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine

C25H24INO — CID 166813401

IUPAC6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine
SMILESCc1ccc(N(I)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1
InChIInChI=1S/C25H24INO/c1-17-13-15-19(16-14-17)27(26)23-12-6-11-22-21-10-5-9-20(24(21)28-25(22)23)18-7-3-2-4-8-18/h5-6,9-16,18H,2-4,7-8H2,1H3
InChIKeyCHXBDAXQGBOCJT-UHFFFAOYSA-N
MW481.38 g/mol
LogP8.43
Rot. Bonds3

About 6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine

6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine (PubChem CID 166813401) has the molecular formula C25H24INO and a molecular weight of 481.38 g/mol. Its IUPAC name is 6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine
PubChem CID166813401
Molecular FormulaC25H24INO
Molecular Weight481.38 g/mol
Exact Mass481.09
IUPAC Name6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine
SMILESCc1ccc(N(I)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1
InChIInChI=1S/C25H24INO/c1-17-13-15-19(16-14-17)27(26)23-12-6-11-22-21-10-5-9-20(24(21)28-25(22)23)18-7-3-2-4-8-18/h5-6,9-16,18H,2-4,7-8H2,1H3
InChIKeyCHXBDAXQGBOCJT-UHFFFAOYSA-N
XLogP8.43
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.38
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane
CID 144918646
6-cyclohexyl-N-(2,4-dimethylphenyl)-N-methyldibenzofuran-4-amine
CID 138651898
6-cyclopentyl-N-methyl-N-phenyldibenzofuran-4-amine
CID 138456793
1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N-[4-(iodomethyl)phenyl]-6-N-(4-methylphenyl)-3,8-di(propan-2-yl)pyrene-1,6-diamine
CID 144918952
6-(N-iodo-4-methylanilino)dibenzofuran-4-carbonitrile
CID 137416012
6-cyclohexyl-N-(2-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 134527994
4-[(6-cyclopentyldibenzofuran-4-yl)-methylamino]benzonitrile
CID 138456777
4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-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;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-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;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-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;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 160963441
6-cyclohexyl-N-methyl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 134527995
N-(6-cyclohexyldibenzofuran-4-yl)-4,18-dimethyl-8,14-bis(4-methylphenyl)-N-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-11-amine
CID 167359812
6-N,11-N-bis(6-cyclohexyldibenzofuran-4-yl)-6-N,11-N-bis(2-methylphenyl)naphtho[3,2-b][1]benzofuran-6,11-diamine
CID 90262543
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

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine?
The IUPAC name of 6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine (CID 166813401) is 6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for 6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine?
The canonical SMILES for 6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine is Cc1ccc(N(I)c2cccc3c2oc2c(C4CCCCC4)cccc23)cc1.
What is the InChIKey of 6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine?
The InChIKey is CHXBDAXQGBOCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24INO/c1-17-13-15-19(16-14-17)27(26)23-12-6-11-22-21-10-5-9-20(24(21)28-25(22)23)18-7-3-2-4-8-18/h5-6,9-16,18H,2-4,7-8H2,1H3.
What are the key properties of 6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine?
6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine has a molecular weight of 481.38 g/mol, XLogP of 8.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 166813401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).