N-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine

C48H39NS — CID 168771794

IUPACN-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C48H39NS/c1-4-13-34(14-5-1)35-23-27-39(28-24-35)49(41-31-32-45-44-19-10-11-22-46(44)50-47(45)33-41)40-29-25-38(26-30-40)48-42(36-15-6-2-7-16-36)20-12-21-43(48)37-17-8-3-9-18-37/h2-3,6-12,15-34H,1,4-5,13-14H2
InChIKeyUINVKIYSDBIZCT-UHFFFAOYSA-N
MW661.91 g/mol
LogP14.57
Rot. Bonds7

About N-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine

N-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine (PubChem CID 168771794) has the molecular formula C48H39NS and a molecular weight of 661.91 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine
PubChem CID168771794
Molecular FormulaC48H39NS
Molecular Weight661.91 g/mol
Exact Mass661.28
IUPAC NameN-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C48H39NS/c1-4-13-34(14-5-1)35-23-27-39(28-24-35)49(41-31-32-45-44-19-10-11-22-46(44)50-47(45)33-41)40-29-25-38(26-30-40)48-42(36-15-6-2-7-16-36)20-12-21-43(48)37-17-8-3-9-18-37/h2-3,6-12,15-34H,1,4-5,13-14H2
InChIKeyUINVKIYSDBIZCT-UHFFFAOYSA-N
XLogP14.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.91
LogP ≤ 514.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyclohexylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 168771801
N-(4-cyclohexylphenyl)-N-[4-(2,6-dinaphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 168771655
N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 168771671
N-(4-cyclohexylphenyl)-N-[4-[2,4,6-tri(propan-2-yl)phenyl]phenyl]dibenzothiophen-3-amine
CID 168771724
N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-3-amine
CID 174255023
N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine
CID 168810336
N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 168810346
N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 164774786
N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzothiophen-3-amine
CID 139297951
N-(4-cyclopentylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 164774673
N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine
CID 174255059
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine (CID 168771794) is N-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine is c1ccc(-c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine?
The InChIKey is UINVKIYSDBIZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39NS/c1-4-13-34(14-5-1)35-23-27-39(28-24-35)49(41-31-32-45-44-19-10-11-22-46(44)50-47(45)33-41)40-29-25-38(26-30-40)48-42(36-15-6-2-7-16-36)20-12-21-43(48)37-17-8-3-9-18-37/h2-3,6-12,15-34H,1,4-5,13-14H2.
What are the key properties of N-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine?
N-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine has a molecular weight of 661.91 g/mol, XLogP of 14.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 168771794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).