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

C52H41NS — CID 168771671

IUPACN-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3cc4ccccc4cc3C3CCCCC3)cc2)cc1
InChIInChI=1S/C52H41NS/c1-4-15-36(16-5-1)44-24-14-25-45(37-17-6-2-7-18-37)52(44)39-27-29-42(30-28-39)53(43-31-32-47-46-23-12-13-26-50(46)54-51(47)35-43)49-34-41-22-11-10-21-40(41)33-48(49)38-19-8-3-9-20-38/h1-2,4-7,10-18,21-35,38H,3,8-9,19-20H2
InChIKeyFCBVPIGOWNEARN-UHFFFAOYSA-N
MW711.97 g/mol
LogP15.73
Rot. Bonds7

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

N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine (PubChem CID 168771671) has the molecular formula C52H41NS and a molecular weight of 711.97 g/mol. Its IUPAC name is N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine
PubChem CID168771671
Molecular FormulaC52H41NS
Molecular Weight711.97 g/mol
Exact Mass711.30
IUPAC NameN-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3cc4ccccc4cc3C3CCCCC3)cc2)cc1
InChIInChI=1S/C52H41NS/c1-4-15-36(16-5-1)44-24-14-25-45(37-17-6-2-7-18-37)52(44)39-27-29-42(30-28-39)53(43-31-32-47-46-23-12-13-26-50(46)54-51(47)35-43)49-34-41-22-11-10-21-40(41)33-48(49)38-19-8-3-9-20-38/h1-2,4-7,10-18,21-35,38H,3,8-9,19-20H2
InChIKeyFCBVPIGOWNEARN-UHFFFAOYSA-N
XLogP15.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.97
LogP ≤ 515.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine with MolForge

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Related Compounds

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-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 168771717
N-(4-cyclohexylphenyl)-N-[4-(2,6-dinaphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 168771655
N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098532
N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 164774786
N-phenyl-N-[3-phenyl-2-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 167293295
N-(2,6-diphenylphenyl)-N-(3-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177128358
N-(4-cyclopentylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 164774673
N-(2-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 168771617
N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098573
N-phenyl-N-[4-[6-(N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzothiophen-3-amine
CID 166917554

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine?
The IUPAC name of N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine (CID 168771671) is N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine.
What is the SMILES notation for N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine?
The canonical SMILES for N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine is c1ccc(-c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccc4c(c3)sc3ccccc34)c3cc4ccccc4cc3C3CCCCC3)cc2)cc1.
What is the InChIKey of N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine?
The InChIKey is FCBVPIGOWNEARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41NS/c1-4-15-36(16-5-1)44-24-14-25-45(37-17-6-2-7-18-37)52(44)39-27-29-42(30-28-39)53(43-31-32-47-46-23-12-13-26-50(46)54-51(47)35-43)49-34-41-22-11-10-21-40(41)33-48(49)38-19-8-3-9-20-38/h1-2,4-7,10-18,21-35,38H,3,8-9,19-20H2.
What are the key properties of N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine?
N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine has a molecular weight of 711.97 g/mol, XLogP of 15.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine is sourced from PubChem (CID 168771671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).