N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine

C54H36N2S — CID 170666353

IUPACN-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-3-13-37(14-4-1)38-25-29-43(30-26-38)55(45-33-34-52-50(36-45)47-19-7-9-23-51(47)56(52)42-17-5-2-6-18-42)44-31-27-39(28-32-44)40-15-11-16-41(35-40)46-21-12-22-49-48-20-8-10-24-53(48)57-54(46)49/h1-36H
InChIKeyHJAJWUAGTPVOGR-UHFFFAOYSA-N
MW744.96 g/mol
LogP15.62
Rot. Bonds7

About N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine

N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 170666353) has the molecular formula C54H36N2S and a molecular weight of 744.96 g/mol. Its IUPAC name is N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
PubChem CID170666353
Molecular FormulaC54H36N2S
Molecular Weight744.96 g/mol
Exact Mass744.26
IUPAC NameN-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-3-13-37(14-4-1)38-25-29-43(30-26-38)55(45-33-34-52-50(36-45)47-19-7-9-23-51(47)56(52)42-17-5-2-6-18-42)44-31-27-39(28-32-44)40-15-11-16-41(35-40)46-21-12-22-49-48-20-8-10-24-53(48)57-54(46)49/h1-36H
InChIKeyHJAJWUAGTPVOGR-UHFFFAOYSA-N
XLogP15.62
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.96
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 160850251
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)phenyl]aniline
CID 66585174
N-(4-carbazol-9-ylphenyl)-4-dibenzothiophen-4-yl-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 70808732
4-[9-(4-dibenzothiophen-4-ylphenyl)-6-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 90131943
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
N,N-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-2-yl]dibenzothiophen-2-amine
CID 129178975
N-(4-carbazol-9-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 177079934
N-(4-dibenzothiophen-4-ylphenyl)-3-[3-(3-fluorocarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 169073553
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-3-amine
CID 70808761
4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 89492129
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121261291

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
The IUPAC name of N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine (CID 170666353) is N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
The canonical SMILES for N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6c5sc5ccccc56)c4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
The InChIKey is HJAJWUAGTPVOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2S/c1-3-13-37(14-4-1)38-25-29-43(30-26-38)55(45-33-34-52-50(36-45)47-19-7-9-23-51(47)56(52)42-17-5-2-6-18-42)44-31-27-39(28-32-44)40-15-11-16-41(35-40)46-21-12-22-49-48-20-8-10-24-53(48)57-54(46)49/h1-36H.
What are the key properties of N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine?
N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 744.96 g/mol, XLogP of 15.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 170666353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).