N-(4-cyclohexylphenyl)-N-iodo-6-methyldibenzothiophen-4-amine

C25H24INS — CID 137415879

IUPACN-(4-cyclohexylphenyl)-N-iodo-6-methyldibenzothiophen-4-amine
SMILESCc1cccc2c1sc1c(N(I)c3ccc(C4CCCCC4)cc3)cccc12
InChIInChI=1S/C25H24INS/c1-17-7-5-10-21-22-11-6-12-23(25(22)28-24(17)21)27(26)20-15-13-19(14-16-20)18-8-3-2-4-9-18/h5-7,10-16,18H,2-4,8-9H2,1H3
InChIKeyNQUSROLISBCQIQ-UHFFFAOYSA-N
MW497.45 g/mol
LogP8.90
Rot. Bonds3

About N-(4-cyclohexylphenyl)-N-iodo-6-methyldibenzothiophen-4-amine

N-(4-cyclohexylphenyl)-N-iodo-6-methyldibenzothiophen-4-amine (PubChem CID 137415879) has the molecular formula C25H24INS and a molecular weight of 497.45 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-N-iodo-6-methyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-N-iodo-6-methyldibenzothiophen-4-amine
PubChem CID137415879
Molecular FormulaC25H24INS
Molecular Weight497.45 g/mol
Exact Mass497.07
IUPAC NameN-(4-cyclohexylphenyl)-N-iodo-6-methyldibenzothiophen-4-amine
SMILESCc1cccc2c1sc1c(N(I)c3ccc(C4CCCCC4)cc3)cccc12
InChIInChI=1S/C25H24INS/c1-17-7-5-10-21-22-11-6-12-23(25(22)28-24(17)21)27(26)20-15-13-19(14-16-20)18-8-3-2-4-9-18/h5-7,10-16,18H,2-4,8-9H2,1H3
InChIKeyNQUSROLISBCQIQ-UHFFFAOYSA-N
XLogP8.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.45
LogP ≤ 58.90
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

N,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine;1-bromo-4-cyclohexylbenzene;dibenzothiophen-4-amine
CID 159308750
4,6-dimethyldibenzothiophene
CID 161055331
6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine
CID 166813401
N,N-bis(4-cyclohexylphenyl)dibenzofuran-1-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-3-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine
CID 160564474
4-cyclopentyl-N,N-dimethylaniline
CID 54506338
6-cyclohexyl-N-(2-ethylphenyl)-N-methyldibenzothiophen-4-amine
CID 134528063
4-N-(4-cyclohexylphenyl)-4-N-methylbenzene-1,4-diamine
CID 155134226
2-[(6-cyclohexyldibenzothiophen-4-yl)-methylamino]benzonitrile
CID 134528060
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
N-[4-[4-(N-dibenzothiophen-4-ylanilino)phenyl]cyclohexyl]-N-phenyldibenzothiophen-4-amine
CID 166694800
N,6-dimethyl-N-(2-propan-2-ylphenyl)dibenzothiophen-4-amine
CID 134528013
2-(N-(4-cyclohexylphenyl)anilino)phenol
CID 22356901

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-N-iodo-6-methyldibenzothiophen-4-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-N-iodo-6-methyldibenzothiophen-4-amine (CID 137415879) is N-(4-cyclohexylphenyl)-N-iodo-6-methyldibenzothiophen-4-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-N-iodo-6-methyldibenzothiophen-4-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-N-iodo-6-methyldibenzothiophen-4-amine is Cc1cccc2c1sc1c(N(I)c3ccc(C4CCCCC4)cc3)cccc12.
What is the InChIKey of N-(4-cyclohexylphenyl)-N-iodo-6-methyldibenzothiophen-4-amine?
The InChIKey is NQUSROLISBCQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24INS/c1-17-7-5-10-21-22-11-6-12-23(25(22)28-24(17)21)27(26)20-15-13-19(14-16-20)18-8-3-2-4-9-18/h5-7,10-16,18H,2-4,8-9H2,1H3.
What are the key properties of N-(4-cyclohexylphenyl)-N-iodo-6-methyldibenzothiophen-4-amine?
N-(4-cyclohexylphenyl)-N-iodo-6-methyldibenzothiophen-4-amine has a molecular weight of 497.45 g/mol, XLogP of 8.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-N-iodo-6-methyldibenzothiophen-4-amine is sourced from PubChem (CID 137415879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).