N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine

C43H35NS — CID 165165113

IUPACN-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(C5CC6CCC5C6)cc4)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C43H35NS/c1-2-6-30(7-3-1)32-16-20-36(21-17-32)44(38-24-25-43-41(28-38)39-8-4-5-9-42(39)45-43)37-22-18-33(19-23-37)31-12-14-34(15-13-31)40-27-29-10-11-35(40)26-29/h1-9,12-25,28-29,35,40H,10-11,26-27H2
InChIKeyLRAWNXUNPVMKAN-UHFFFAOYSA-N
MW597.83 g/mol
LogP12.76
Rot. Bonds6

About N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine

N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine (PubChem CID 165165113) has the molecular formula C43H35NS and a molecular weight of 597.83 g/mol. Its IUPAC name is N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
PubChem CID165165113
Molecular FormulaC43H35NS
Molecular Weight597.83 g/mol
Exact Mass597.25
IUPAC NameN-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(C5CC6CCC5C6)cc4)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C43H35NS/c1-2-6-30(7-3-1)32-16-20-36(21-17-32)44(38-24-25-43-41(28-38)39-8-4-5-9-42(39)45-43)37-22-18-33(19-23-37)31-12-14-34(15-13-31)40-27-29-10-11-35(40)26-29/h1-9,12-25,28-29,35,40H,10-11,26-27H2
InChIKeyLRAWNXUNPVMKAN-UHFFFAOYSA-N
XLogP12.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.83
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine with MolForge

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Related Compounds

N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N,8-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 139552059
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 170179842
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 165165071
N,N-bis(4-phenylphenyl)dibenzothiophen-2-amine;4-phenyl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 157402984
N,N-bis(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90350992
N,N-bis[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-12,12-dimethylfluoreno[1,2-b][1]benzothiol-2-amine
CID 170543273
8-dibenzothiophen-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90076252
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118640902
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261318
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-b][1]benzothiol-2-amine
CID 155135337
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine (CID 165165113) is N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(C5CC6CCC5C6)cc4)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine?
The InChIKey is LRAWNXUNPVMKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35NS/c1-2-6-30(7-3-1)32-16-20-36(21-17-32)44(38-24-25-43-41(28-38)39-8-4-5-9-42(39)45-43)37-22-18-33(19-23-37)31-12-14-34(15-13-31)40-27-29-10-11-35(40)26-29/h1-9,12-25,28-29,35,40H,10-11,26-27H2.
What are the key properties of N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine?
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine has a molecular weight of 597.83 g/mol, XLogP of 12.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 165165113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).