N-naphthalen-2-yl-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-3-amine

C40H33NS — CID 174254843

IUPACN-naphthalen-2-yl-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(C2(c3ccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)sc4ccccc45)cc3)CCCCC2)cc1
InChIInChI=1S/C40H33NS/c1-3-13-31(14-4-1)40(25-9-2-10-26-40)32-18-21-33(22-19-32)41(34-20-17-29-11-5-6-12-30(29)27-34)35-23-24-37-36-15-7-8-16-38(36)42-39(37)28-35/h1,3-8,11-24,27-28H,2,9-10,25-26H2
InChIKeyUZAADRPZWALBFH-UHFFFAOYSA-N
MW559.78 g/mol
LogP11.93
Rot. Bonds5

About N-naphthalen-2-yl-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-3-amine

N-naphthalen-2-yl-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-3-amine (PubChem CID 174254843) has the molecular formula C40H33NS and a molecular weight of 559.78 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-3-amine
PubChem CID174254843
Molecular FormulaC40H33NS
Molecular Weight559.78 g/mol
Exact Mass559.23
IUPAC NameN-naphthalen-2-yl-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(C2(c3ccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)sc4ccccc45)cc3)CCCCC2)cc1
InChIInChI=1S/C40H33NS/c1-3-13-31(14-4-1)40(25-9-2-10-26-40)32-18-21-33(22-19-32)41(34-20-17-29-11-5-6-12-30(29)27-34)35-23-24-37-36-15-7-8-16-38(36)42-39(37)28-35/h1,3-8,11-24,27-28H,2,9-10,25-26H2
InChIKeyUZAADRPZWALBFH-UHFFFAOYSA-N
XLogP11.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.78
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[1-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]cyclohexyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 168810346
N-(4-cyclohexylphenyl)-N-[4-[1-[4-(N-phenylanilino)phenyl]cyclohexyl]phenyl]dibenzothiophen-3-amine
CID 168810336
N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-2-amine
CID 174254871
N-naphthalen-2-yl-N-[4-(1-phenylcyclooctyl)phenyl]dibenzofuran-3-amine
CID 174255268
7-N-dibenzothiophen-3-yl-2-N,2-N-dinaphthalen-2-yl-7-N-phenyldibenzothiophene-2,7-diamine
CID 134553264
2-N-dibenzothiophen-3-yl-2-N,7-N,7-N-triphenylphenanthrene-2,7-diamine
CID 170410437
N-naphthalen-2-yl-N-[6-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]dibenzothiophen-3-amine
CID 174256597
7-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine;2-N,7-N-dinaphthalen-2-yl-2-N-phenyl-7-N-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzothiophene-2,7-diamine;2-N,2-N-diphenyl-7-N-[3-(N-phenylanilino)phenyl]-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 161361054
N-(4-cyclohexylphenyl)-9-phenyl-N-[4-(1-phenylcycloheptyl)phenyl]dibenzothiophen-3-amine
CID 174255023
7-N,7-N,19-N,19-N-tetranaphthalen-2-yl-10,16-dithiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
CID 153303342
N-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-N-(6-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177100618
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 118640861

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-naphthalen-2-yl-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-3-amine (CID 174254843) is N-naphthalen-2-yl-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-naphthalen-2-yl-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-3-amine is c1ccc(C2(c3ccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)sc4ccccc45)cc3)CCCCC2)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-3-amine?
The InChIKey is UZAADRPZWALBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33NS/c1-3-13-31(14-4-1)40(25-9-2-10-26-40)32-18-21-33(22-19-32)41(34-20-17-29-11-5-6-12-30(29)27-34)35-23-24-37-36-15-7-8-16-38(36)42-39(37)28-35/h1,3-8,11-24,27-28H,2,9-10,25-26H2.
What are the key properties of N-naphthalen-2-yl-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-3-amine?
N-naphthalen-2-yl-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-3-amine has a molecular weight of 559.78 g/mol, XLogP of 11.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 174254843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).