N,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine

C54H35N3S — CID 167110194

IUPACN,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2ccc3sc4c(N(c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cccc4c3c2)cc1
InChIInChI=1S/C54H35N3S/c1-2-13-36(14-3-1)37-25-34-53-47(35-37)46-19-12-24-52(54(46)58-53)55(38-26-30-40(31-27-38)56-48-20-8-4-15-42(48)43-16-5-9-21-49(43)56)39-28-32-41(33-29-39)57-50-22-10-6-17-44(50)45-18-7-11-23-51(45)57/h1-35H
InChIKeyXWIXWTHQLFCPOR-UHFFFAOYSA-N
MW757.96 g/mol
LogP15.39
Rot. Bonds6

About N,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine

N,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine (PubChem CID 167110194) has the molecular formula C54H35N3S and a molecular weight of 757.96 g/mol. Its IUPAC name is N,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine.

Molecular Properties

Compound NameN,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine
PubChem CID167110194
Molecular FormulaC54H35N3S
Molecular Weight757.96 g/mol
Exact Mass757.26
IUPAC NameN,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine
SMILESc1ccc(-c2ccc3sc4c(N(c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cccc4c3c2)cc1
InChIInChI=1S/C54H35N3S/c1-2-13-36(14-3-1)37-25-34-53-47(35-37)46-19-12-24-52(54(46)58-53)55(38-26-30-40(31-27-38)56-48-20-8-4-15-42(48)43-16-5-9-21-49(43)56)39-28-32-41(33-29-39)57-50-22-10-6-17-44(50)45-18-7-11-23-51(45)57/h1-35H
InChIKeyXWIXWTHQLFCPOR-UHFFFAOYSA-N
XLogP15.39
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.96
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-4-amine
CID 70808750
N-dibenzothiophen-4-yl-N,9-bis(4-phenylphenyl)carbazol-3-amine
CID 129119341
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(8-phenyldibenzothiophen-4-yl)dibenzofuran-3-amine
CID 168814389
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351069
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 90077208
N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 155051715
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170380092
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298558
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
CID 164962758
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 159292400
N-naphthalen-1-yl-N-[4-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)phenyl]dibenzothiophen-2-amine
CID 89448236

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine?
The IUPAC name of N,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine (CID 167110194) is N,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine.
What is the SMILES notation for N,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine?
The canonical SMILES for N,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine is c1ccc(-c2ccc3sc4c(N(c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cccc4c3c2)cc1.
What is the InChIKey of N,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine?
The InChIKey is XWIXWTHQLFCPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3S/c1-2-13-36(14-3-1)37-25-34-53-47(35-37)46-19-12-24-52(54(46)58-53)55(38-26-30-40(31-27-38)56-48-20-8-4-15-42(48)43-16-5-9-21-49(43)56)39-28-32-41(33-29-39)57-50-22-10-6-17-44(50)45-18-7-11-23-51(45)57/h1-35H.
What are the key properties of N,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine?
N,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine has a molecular weight of 757.96 g/mol, XLogP of 15.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-carbazol-9-ylphenyl)-8-phenyldibenzothiophen-4-amine is sourced from PubChem (CID 167110194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).