N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline

C54H36N2S — CID 90351069

IUPACN-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-2-10-37(11-3-1)38-18-20-39(21-19-38)40-22-27-43(28-23-40)55(44-29-24-41(25-30-44)42-26-35-54-50(36-42)49-14-6-9-17-53(49)57-54)45-31-33-46(34-32-45)56-51-15-7-4-12-47(51)48-13-5-8-16-52(48)56/h1-36H
InChIKeyMIJKATLDMBBWHF-UHFFFAOYSA-N
MW744.96 g/mol
LogP15.62
Rot. Bonds7

About N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline

N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline (PubChem CID 90351069) has the molecular formula C54H36N2S and a molecular weight of 744.96 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
PubChem CID90351069
Molecular FormulaC54H36N2S
Molecular Weight744.96 g/mol
Exact Mass744.26
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-2-10-37(11-3-1)38-18-20-39(21-19-38)40-22-27-43(28-23-40)55(44-29-24-41(25-30-44)42-26-35-54-50(36-42)49-14-6-9-17-53(49)57-54)45-31-33-46(34-32-45)56-51-15-7-4-12-47(51)48-13-5-8-16-52(48)56/h1-36H
InChIKeyMIJKATLDMBBWHF-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

2,8-Bis(9H-carbazol-9-yl)dibenzothiophene
CID 59348313
9,9'-(4,4'-Sulfonylbis(4,1-phenylene))bis(3,6-di-tert-butyl-9H-carbazole)
CID 90168099
CID 138376572
CID 138376572
4,4'-Bis(4-(9H-carbazol-9-yl)styryl)-1,1'-biphenyl
CID 57603892
9,9'-Di([1,1'-biphenyl]-4-yl)-9H,9'H-3,3'-bicarbazole
CID 59470031
4,4'-[3,3'-bi-9H-carbazole]-9,9'-diylbis[N,N-diphenyl-benzenamine]
CID 70659085
[9-Ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium
CID 138753191
9-Ethyl-3-[3-[2-[5-(9-ethylcarbazol-3-yl)-2-methylsulfanylphenyl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-4-methylsulfanylphenyl]carbazole
CID 123904322
5,6-Bis(9-(2-decyltetradecyl)-6-fluoro-9h-carbazol-3-yl)naphtho[2,1-b:3,4-b']dithiophene
CID 134822632
2-[(E)-2-(9-benzylcarbazol-3-yl)ethenyl]-1,3-benzothiazole
CID 172451679
2-[(E)-2-[4-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]phenyl]ethenyl]-1,3-benzothiazole
CID 10951249
2,5-Bis(9H-carbazol-9-yl)thiophene
CID 57615735

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline (CID 90351069) is N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline?
The InChIKey is MIJKATLDMBBWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2S/c1-2-10-37(11-3-1)38-18-20-39(21-19-38)40-22-27-43(28-23-40)55(44-29-24-41(25-30-44)42-26-35-54-50(36-42)49-14-6-9-17-53(49)57-54)45-31-33-46(34-32-45)56-51-15-7-4-12-47(51)48-13-5-8-16-52(48)56/h1-36H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline?
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline 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-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 90351069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).