N-(3-dibenzothiophen-4-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine

C54H36N2S — CID 169010108

IUPACN-(3-dibenzothiophen-4-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccccc2N(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2ccc3c4c(-c5ccccc5)cccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C54H36N2S/c1-4-17-37(18-5-1)43-25-10-12-30-49(43)55(41-24-14-21-39(35-41)45-28-15-29-47-46-26-11-13-32-52(46)57-54(45)47)42-33-34-48-51(36-42)56(40-22-8-3-9-23-40)50-31-16-27-44(53(48)50)38-19-6-2-7-20-38/h1-36H
InChIKeyZRIWSSCWVGUNGH-UHFFFAOYSA-N
MW744.96 g/mol
LogP15.62
Rot. Bonds7

About N-(3-dibenzothiophen-4-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine

N-(3-dibenzothiophen-4-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine (PubChem CID 169010108) has the molecular formula C54H36N2S and a molecular weight of 744.96 g/mol. Its IUPAC name is N-(3-dibenzothiophen-4-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-4-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
PubChem CID169010108
Molecular FormulaC54H36N2S
Molecular Weight744.96 g/mol
Exact Mass744.26
IUPAC NameN-(3-dibenzothiophen-4-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccccc2N(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2ccc3c4c(-c5ccccc5)cccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C54H36N2S/c1-4-17-37(18-5-1)43-25-10-12-30-49(43)55(41-24-14-21-39(35-41)45-28-15-29-47-46-26-11-13-32-52(46)57-54(45)47)42-33-34-48-51(36-42)56(40-22-8-3-9-23-40)50-31-16-27-44(53(48)50)38-19-6-2-7-20-38/h1-36H
InChIKeyZRIWSSCWVGUNGH-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-[3-(9-phenylcarbazol-4-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501679
N-(3-dibenzothiophen-4-ylphenyl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-3-amine
CID 172500763
5,9-diphenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)carbazol-2-amine
CID 169010333
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 170298563
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737351
N-[3-(7-phenylbenzo[c]carbazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 166847694
2-[3-(N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167086686
N-(4-dibenzothiophen-4-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]-N-phenylaniline
CID 168839445
N-(4-dibenzothiophen-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169009610
N-[2-(4-bromophenyl)phenyl]-N-phenyl-5-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine
CID 126702091
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170299237
N-dibenzothiophen-4-yl-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170298580

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-(3-dibenzothiophen-4-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine (CID 169010108) is N-(3-dibenzothiophen-4-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-(3-dibenzothiophen-4-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-(3-dibenzothiophen-4-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine is c1ccc(-c2ccccc2N(c2cccc(-c3cccc4c3sc3ccccc34)c2)c2ccc3c4c(-c5ccccc5)cccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N-(3-dibenzothiophen-4-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine?
The InChIKey is ZRIWSSCWVGUNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2S/c1-4-17-37(18-5-1)43-25-10-12-30-49(43)55(41-24-14-21-39(35-41)45-28-15-29-47-46-26-11-13-32-52(46)57-54(45)47)42-33-34-48-51(36-42)56(40-22-8-3-9-23-40)50-31-16-27-44(53(48)50)38-19-6-2-7-20-38/h1-36H.
What are the key properties of N-(3-dibenzothiophen-4-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine?
N-(3-dibenzothiophen-4-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-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-(3-dibenzothiophen-4-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 169010108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).