N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine

C44H35NS — CID 164774786

IUPACN-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
SMILESc1ccc2cc(-c3c(N(c4ccc(C5CCCCC5)cc4)c4ccc5c(c4)sc4ccccc45)ccc4ccccc34)ccc2c1
InChIInChI=1S/C44H35NS/c1-2-10-30(11-3-1)32-20-23-36(24-21-32)45(37-25-26-40-39-16-8-9-17-42(39)46-43(40)29-37)41-27-22-33-13-6-7-15-38(33)44(41)35-19-18-31-12-4-5-14-34(31)28-35/h4-9,12-30H,1-3,10-11H2
InChIKeyZZSUGJOJKHHJSY-UHFFFAOYSA-N
MW609.84 g/mol
LogP13.55
Rot. Bonds5

About N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine

N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine (PubChem CID 164774786) has the molecular formula C44H35NS and a molecular weight of 609.84 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
PubChem CID164774786
Molecular FormulaC44H35NS
Molecular Weight609.84 g/mol
Exact Mass609.25
IUPAC NameN-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
SMILESc1ccc2cc(-c3c(N(c4ccc(C5CCCCC5)cc4)c4ccc5c(c4)sc4ccccc45)ccc4ccccc34)ccc2c1
InChIInChI=1S/C44H35NS/c1-2-10-30(11-3-1)32-20-23-36(24-21-32)45(37-25-26-40-39-16-8-9-17-42(39)46-43(40)29-37)41-27-22-33-13-6-7-15-38(33)44(41)35-19-18-31-12-4-5-14-34(31)28-35/h4-9,12-30H,1-3,10-11H2
InChIKeyZZSUGJOJKHHJSY-UHFFFAOYSA-N
XLogP13.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.84
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyclopentylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 164774673
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-amine;N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 165099350
1-dibenzothiophen-3-yl-N-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 156522899
N-(4-cyclohexylphenyl)-N-[4-(2,6-dinaphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 168771655
N-[1-(6-cyclopentylnaphthalen-2-yl)naphthalen-2-yl]-N-(3,5-dicyclopentylphenyl)-9,9-dimethylfluoren-3-amine;N-[1-(8-cyclopentylnaphthalen-2-yl)naphthalen-2-yl]-N-(2,4-dicyclopentylphenyl)-9,9-dimethylfluoren-3-amine;N-[4-(4-cyclopentylphenyl)phenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 165061286
N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098573
N-(4-cyclohexylphenyl)-N-[4-[2,4,6-tri(propan-2-yl)phenyl]phenyl]dibenzothiophen-3-amine
CID 168771724
N-(4-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 168771794
N-(4-cyclohexylphenyl)-N-[4-(2,3-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 168771801
N-[4-[4-[4-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine
CID 176611894
N-(4-cyclohexylphenyl)-N-(3-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 164774948
N-[4-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine
CID 176611866

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine (CID 164774786) is N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine is c1ccc2cc(-c3c(N(c4ccc(C5CCCCC5)cc4)c4ccc5c(c4)sc4ccccc45)ccc4ccccc34)ccc2c1.
What is the InChIKey of N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine?
The InChIKey is ZZSUGJOJKHHJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35NS/c1-2-10-30(11-3-1)32-20-23-36(24-21-32)45(37-25-26-40-39-16-8-9-17-42(39)46-43(40)29-37)41-27-22-33-13-6-7-15-38(33)44(41)35-19-18-31-12-4-5-14-34(31)28-35/h4-9,12-30H,1-3,10-11H2.
What are the key properties of N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine?
N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine has a molecular weight of 609.84 g/mol, XLogP of 13.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine is sourced from PubChem (CID 164774786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).