4-[(Z)-2-(4-carbazol-9-ylphenyl)-2-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]ethenyl]-N-phenylaniline

C62H44N4 — CID 121256430

IUPAC4-[(Z)-2-(4-carbazol-9-ylphenyl)-2-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]ethenyl]-N-phenylaniline
SMILESC(=C(/c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1)\c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C62H44N4/c1-3-15-47(16-4-1)63-48-33-27-44(28-34-48)43-58(46-31-37-52(38-32-46)65-59-23-11-7-19-54(59)55-20-8-12-24-60(55)65)45-29-35-50(36-30-45)64(49-17-5-2-6-18-49)51-39-41-53(42-40-51)66-61-25-13-9-21-56(61)57-22-10-14-26-62(57)66/h1-43,63H/b58-43-
InChIKeyVYTBZIARXGRVIV-YCYQMCPKSA-N
MW845.06 g/mol
LogP16.68
Rot. Bonds10

About 4-[(Z)-2-(4-carbazol-9-ylphenyl)-2-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]ethenyl]-N-phenylaniline

4-[(Z)-2-(4-carbazol-9-ylphenyl)-2-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]ethenyl]-N-phenylaniline (PubChem CID 121256430) has the molecular formula C62H44N4 and a molecular weight of 845.06 g/mol. Its IUPAC name is 4-[(Z)-2-(4-carbazol-9-ylphenyl)-2-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]ethenyl]-N-phenylaniline.

Molecular Properties

Compound Name4-[(Z)-2-(4-carbazol-9-ylphenyl)-2-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]ethenyl]-N-phenylaniline
PubChem CID121256430
Molecular FormulaC62H44N4
Molecular Weight845.06 g/mol
Exact Mass844.36
IUPAC Name4-[(Z)-2-(4-carbazol-9-ylphenyl)-2-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]ethenyl]-N-phenylaniline
SMILESC(=C(/c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1)\c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C62H44N4/c1-3-15-47(16-4-1)63-48-33-27-44(28-34-48)43-58(46-31-37-52(38-32-46)65-59-23-11-7-19-54(59)55-20-8-12-24-60(55)65)45-29-35-50(36-30-45)64(49-17-5-2-6-18-49)51-39-41-53(42-40-51)66-61-25-13-9-21-56(61)57-22-10-14-26-62(57)66/h1-43,63H/b58-43-
InChIKeyVYTBZIARXGRVIV-YCYQMCPKSA-N
XLogP16.68
TPSA25.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.06
LogP ≤ 516.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N,N-diphenyl-4-[(E)-2-phenyl-2-[4-tris[4-[(E)-1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]germylphenyl]ethenyl]aniline;methane;tetrakis[4-[(E)-2-(4-carbazol-9-ylphenyl)-1-phenylethenyl]phenyl]germane
CID 158849966
9-[4-[2-[4-[4-[2,2-bis(4-carbazol-9-ylphenyl)ethenyl]phenyl]phenyl]-1-(4-carbazol-9-ylphenyl)ethenyl]phenyl]carbazole
CID 102262971
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
4-[2-[4-(4-carbazol-9-ylanilino)phenyl]-1,2-diphenylethenyl]-N-(4-carbazol-9-ylphenyl)aniline
CID 66688569
[4-[3-anilino-6-(N-phenylanilino)carbazol-9-yl]phenyl]-[4-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]methanone
CID 121447619
N-[4-(4-anilinophenyl)phenyl]-9-(4-fluorophenyl)-N-phenylcarbazol-3-amine
CID 138528996
7-N-(4-ethenylphenyl)-2-N,7-N,9-triphenylcarbazole-2,7-diamine
CID 152929920
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
CID 164801794
methane;N-phenylaniline;N,N,5,10-tetraphenylindolo[3,2-b]indol-3-amine
CID 158718269

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(4-carbazol-9-ylphenyl)-2-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]ethenyl]-N-phenylaniline?
The IUPAC name of 4-[(Z)-2-(4-carbazol-9-ylphenyl)-2-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]ethenyl]-N-phenylaniline (CID 121256430) is 4-[(Z)-2-(4-carbazol-9-ylphenyl)-2-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]ethenyl]-N-phenylaniline.
What is the SMILES notation for 4-[(Z)-2-(4-carbazol-9-ylphenyl)-2-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]ethenyl]-N-phenylaniline?
The canonical SMILES for 4-[(Z)-2-(4-carbazol-9-ylphenyl)-2-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]ethenyl]-N-phenylaniline is C(=C(/c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1)\c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 4-[(Z)-2-(4-carbazol-9-ylphenyl)-2-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]ethenyl]-N-phenylaniline?
The InChIKey is VYTBZIARXGRVIV-YCYQMCPKSA-N. The full InChI is InChI=1S/C62H44N4/c1-3-15-47(16-4-1)63-48-33-27-44(28-34-48)43-58(46-31-37-52(38-32-46)65-59-23-11-7-19-54(59)55-20-8-12-24-60(55)65)45-29-35-50(36-30-45)64(49-17-5-2-6-18-49)51-39-41-53(42-40-51)66-61-25-13-9-21-56(61)57-22-10-14-26-62(57)66/h1-43,63H/b58-43-.
What are the key properties of 4-[(Z)-2-(4-carbazol-9-ylphenyl)-2-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]ethenyl]-N-phenylaniline?
4-[(Z)-2-(4-carbazol-9-ylphenyl)-2-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]ethenyl]-N-phenylaniline has a molecular weight of 845.06 g/mol, XLogP of 16.68, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(4-carbazol-9-ylphenyl)-2-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]ethenyl]-N-phenylaniline is sourced from PubChem (CID 121256430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).