N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-2-amine

C46H37NS — CID 174254871

IUPACN-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(C2(c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5sc6ccccc6c5c4)cc3)CCCCC2)cc1
InChIInChI=1S/C46H37NS/c1-3-14-35(15-4-1)46(30-9-2-10-31-46)36-22-26-38(27-23-36)47(39-28-29-45-43(32-39)42-17-7-8-19-44(42)48-45)37-24-20-34(21-25-37)41-18-11-13-33-12-5-6-16-40(33)41/h1,3-8,11-29,32H,2,9-10,30-31H2
InChIKeyLNQUWQABQGGXOH-UHFFFAOYSA-N
MW635.88 g/mol
LogP13.59
Rot. Bonds6

About N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-2-amine

N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-2-amine (PubChem CID 174254871) has the molecular formula C46H37NS and a molecular weight of 635.88 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-2-amine
PubChem CID174254871
Molecular FormulaC46H37NS
Molecular Weight635.88 g/mol
Exact Mass635.26
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-2-amine
SMILESc1ccc(C2(c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5sc6ccccc6c5c4)cc3)CCCCC2)cc1
InChIInChI=1S/C46H37NS/c1-3-14-35(15-4-1)46(30-9-2-10-31-46)36-22-26-38(27-23-36)47(39-28-29-45-43(32-39)42-17-7-8-19-44(42)48-45)37-24-20-34(21-25-37)41-18-11-13-33-12-5-6-16-40(33)41/h1,3-8,11-29,32H,2,9-10,30-31H2
InChIKeyLNQUWQABQGGXOH-UHFFFAOYSA-N
XLogP13.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.88
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-2-amine with MolForge

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Related Compounds

N-naphthalen-2-yl-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-3-amine
CID 174254843
N-dibenzothiophen-2-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzothiol-2-amine
CID 170039130
N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-2-amine
CID 174255059
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine
CID 174255291
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzofuran-3-amine
CID 174255025
9-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine
CID 166055432
3-dibenzothiophen-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 168767039
N-[4-(5-naphthalen-1-ylnaphthalen-1-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 177114131
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]aniline
CID 135277607
N-[4-(6-chloronaphthalen-1-yl)phenyl]-N-phenyldibenzothiophen-2-amine
CID 166917856
N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(3-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline
CID 168846083
1-naphthalen-1-yl-4-[4-[1-[4-(4-naphthalen-1-ylnaphthalen-1-yl)phenyl]cyclohexyl]phenyl]naphthalene
CID 123884226

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-2-amine (CID 174254871) is N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-2-amine is c1ccc(C2(c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc5sc6ccccc6c5c4)cc3)CCCCC2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-2-amine?
The InChIKey is LNQUWQABQGGXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37NS/c1-3-14-35(15-4-1)46(30-9-2-10-31-46)36-22-26-38(27-23-36)47(39-28-29-45-43(32-39)42-17-7-8-19-44(42)48-45)37-24-20-34(21-25-37)41-18-11-13-33-12-5-6-16-40(33)41/h1,3-8,11-29,32H,2,9-10,30-31H2.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-2-amine?
N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-2-amine has a molecular weight of 635.88 g/mol, XLogP of 13.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 174254871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).