N-[3-[3-[(4-cyclohexylcyclohexyl)-(2,3-dihydrodibenzothiophen-2-yl)amino]phenyl]cyclohexyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine

C60H60N2S2 — CID 167086540

IUPACN-[3-[3-[(4-cyclohexylcyclohexyl)-(2,3-dihydrodibenzothiophen-2-yl)amino]phenyl]cyclohexyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESC1=c2sc3ccccc3c2=CC(N(c2cccc(C3CCCC(N(c4ccc(-c5ccccc5)cc4)c4ccc5sc6ccccc6c5c4)C3)c2)C2CCC(C3CCCCC3)CC2)C1
InChIInChI=1S/C60H60N2S2/c1-3-13-41(14-4-1)43-25-29-47(30-26-43)61(51-33-35-59-55(39-51)53-21-7-9-23-57(53)63-59)49-19-11-17-45(37-49)46-18-12-20-50(38-46)62(48-31-27-44(28-32-48)42-15-5-2-6-16-42)52-34-36-60-56(40-52)54-22-8-10-24-58(54)64-60/h1,3-4,7-10,12-14,18,20-26,29-30,33,35-36,38-40,42,44-45,48-49,52H,2,5-6,11,15-17,19,27-28,31-32,34,37H2
InChIKeyBLADVCCTOFRSSV-UHFFFAOYSA-N
MW873.29 g/mol
LogP15.78
Rot. Bonds9

About N-[3-[3-[(4-cyclohexylcyclohexyl)-(2,3-dihydrodibenzothiophen-2-yl)amino]phenyl]cyclohexyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine

N-[3-[3-[(4-cyclohexylcyclohexyl)-(2,3-dihydrodibenzothiophen-2-yl)amino]phenyl]cyclohexyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 167086540) has the molecular formula C60H60N2S2 and a molecular weight of 873.29 g/mol. Its IUPAC name is N-[3-[3-[(4-cyclohexylcyclohexyl)-(2,3-dihydrodibenzothiophen-2-yl)amino]phenyl]cyclohexyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[3-[3-[(4-cyclohexylcyclohexyl)-(2,3-dihydrodibenzothiophen-2-yl)amino]phenyl]cyclohexyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
PubChem CID167086540
Molecular FormulaC60H60N2S2
Molecular Weight873.29 g/mol
Exact Mass872.42
IUPAC NameN-[3-[3-[(4-cyclohexylcyclohexyl)-(2,3-dihydrodibenzothiophen-2-yl)amino]phenyl]cyclohexyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESC1=c2sc3ccccc3c2=CC(N(c2cccc(C3CCCC(N(c4ccc(-c5ccccc5)cc4)c4ccc5sc6ccccc6c5c4)C3)c2)C2CCC(C3CCCCC3)CC2)C1
InChIInChI=1S/C60H60N2S2/c1-3-13-41(14-4-1)43-25-29-47(30-26-43)61(51-33-35-59-55(39-51)53-21-7-9-23-57(53)63-59)49-19-11-17-45(37-49)46-18-12-20-50(38-46)62(48-31-27-44(28-32-48)42-15-5-2-6-16-42)52-34-36-60-56(40-52)54-22-8-10-24-58(54)64-60/h1,3-4,7-10,12-14,18,20-26,29-30,33,35-36,38-40,42,44-45,48-49,52H,2,5-6,11,15-17,19,27-28,31-32,34,37H2
InChIKeyBLADVCCTOFRSSV-UHFFFAOYSA-N
XLogP15.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.29
LogP ≤ 515.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-[3-[(4-cyclohexylcyclohexyl)-(2,3-dihydrodibenzothiophen-2-yl)amino]phenyl]cyclohexyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine with MolForge

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Related Compounds

2-N,8-N-diphenyl-2-N,8-N-bis(4-phenylphenyl)-2,3-dihydrodibenzothiophene-2,8-diamine
CID 155028303
2-[3-(7-heptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triacontanyl)phenyl]dibenzothiophene
CID 140875800
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 165165113
2-cyclohexyldibenzothiophene
CID 154097064
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
[4-(N-dibenzothiophen-2-ylanilino)cyclohexa-1,5-dien-1-yl]boronic acid
CID 144888469
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(4-cyclohexylcyclohexyl)-(2,3-dihydrodibenzothiophen-2-yl)amino]phenyl]cyclohexyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-[3-[3-[(4-cyclohexylcyclohexyl)-(2,3-dihydrodibenzothiophen-2-yl)amino]phenyl]cyclohexyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine (CID 167086540) is N-[3-[3-[(4-cyclohexylcyclohexyl)-(2,3-dihydrodibenzothiophen-2-yl)amino]phenyl]cyclohexyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-[3-[3-[(4-cyclohexylcyclohexyl)-(2,3-dihydrodibenzothiophen-2-yl)amino]phenyl]cyclohexyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-[3-[3-[(4-cyclohexylcyclohexyl)-(2,3-dihydrodibenzothiophen-2-yl)amino]phenyl]cyclohexyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine is C1=c2sc3ccccc3c2=CC(N(c2cccc(C3CCCC(N(c4ccc(-c5ccccc5)cc4)c4ccc5sc6ccccc6c5c4)C3)c2)C2CCC(C3CCCCC3)CC2)C1.
What is the InChIKey of N-[3-[3-[(4-cyclohexylcyclohexyl)-(2,3-dihydrodibenzothiophen-2-yl)amino]phenyl]cyclohexyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is BLADVCCTOFRSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H60N2S2/c1-3-13-41(14-4-1)43-25-29-47(30-26-43)61(51-33-35-59-55(39-51)53-21-7-9-23-57(53)63-59)49-19-11-17-45(37-49)46-18-12-20-50(38-46)62(48-31-27-44(28-32-48)42-15-5-2-6-16-42)52-34-36-60-56(40-52)54-22-8-10-24-58(54)64-60/h1,3-4,7-10,12-14,18,20-26,29-30,33,35-36,38-40,42,44-45,48-49,52H,2,5-6,11,15-17,19,27-28,31-32,34,37H2.
What are the key properties of N-[3-[3-[(4-cyclohexylcyclohexyl)-(2,3-dihydrodibenzothiophen-2-yl)amino]phenyl]cyclohexyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine?
N-[3-[3-[(4-cyclohexylcyclohexyl)-(2,3-dihydrodibenzothiophen-2-yl)amino]phenyl]cyclohexyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine has a molecular weight of 873.29 g/mol, XLogP of 15.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(4-cyclohexylcyclohexyl)-(2,3-dihydrodibenzothiophen-2-yl)amino]phenyl]cyclohexyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 167086540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).