9-[4-[2-[4-[4-[2,2-bis(4-carbazol-9-ylphenyl)ethenyl]phenyl]phenyl]-1-(4-carbazol-9-ylphenyl)ethenyl]phenyl]carbazole

C88H58N4 — CID 102262971

IUPAC9-[4-[2-[4-[4-[2,2-bis(4-carbazol-9-ylphenyl)ethenyl]phenyl]phenyl]-1-(4-carbazol-9-ylphenyl)ethenyl]phenyl]carbazole
SMILESC(=C(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-c2ccc(C=C(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C88H58N4/c1-9-25-81-71(17-1)72-18-2-10-26-82(72)89(81)67-49-41-63(42-50-67)79(64-43-51-68(52-44-64)90-83-27-11-3-19-73(83)74-20-4-12-28-84(74)90)57-59-33-37-61(38-34-59)62-39-35-60(36-40-62)58-80(65-45-53-69(54-46-65)91-85-29-13-5-21-75(85)76-22-6-14-30-86(76)91)66-47-55-70(56-48-66)92-87-31-15-7-23-77(87)78-24-8-16-32-88(78)92/h1-58H
InChIKeyRITMRHNKHXTOBI-UHFFFAOYSA-N
MW1171.46 g/mol
LogP22.92
Rot. Bonds11

About 9-[4-[2-[4-[4-[2,2-bis(4-carbazol-9-ylphenyl)ethenyl]phenyl]phenyl]-1-(4-carbazol-9-ylphenyl)ethenyl]phenyl]carbazole

9-[4-[2-[4-[4-[2,2-bis(4-carbazol-9-ylphenyl)ethenyl]phenyl]phenyl]-1-(4-carbazol-9-ylphenyl)ethenyl]phenyl]carbazole (PubChem CID 102262971) has the molecular formula C88H58N4 and a molecular weight of 1171.46 g/mol. Its IUPAC name is 9-[4-[2-[4-[4-[2,2-bis(4-carbazol-9-ylphenyl)ethenyl]phenyl]phenyl]-1-(4-carbazol-9-ylphenyl)ethenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[2-[4-[4-[2,2-bis(4-carbazol-9-ylphenyl)ethenyl]phenyl]phenyl]-1-(4-carbazol-9-ylphenyl)ethenyl]phenyl]carbazole
PubChem CID102262971
Molecular FormulaC88H58N4
Molecular Weight1171.46 g/mol
Exact Mass1170.47
IUPAC Name9-[4-[2-[4-[4-[2,2-bis(4-carbazol-9-ylphenyl)ethenyl]phenyl]phenyl]-1-(4-carbazol-9-ylphenyl)ethenyl]phenyl]carbazole
SMILESC(=C(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-c2ccc(C=C(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C88H58N4/c1-9-25-81-71(17-1)72-18-2-10-26-82(72)89(81)67-49-41-63(42-50-67)79(64-43-51-68(52-44-64)90-83-27-11-3-19-73(83)74-20-4-12-28-84(74)90)57-59-33-37-61(38-34-59)62-39-35-60(36-40-62)58-80(65-45-53-69(54-46-65)91-85-29-13-5-21-75(85)76-22-6-14-30-86(76)91)66-47-55-70(56-48-66)92-87-31-15-7-23-77(87)78-24-8-16-32-88(78)92/h1-58H
InChIKeyRITMRHNKHXTOBI-UHFFFAOYSA-N
XLogP22.92
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001171.46
LogP ≤ 522.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[2-(9,9-dimethylfluoren-3-yl)-2-[4-(3,5-diphenylphenyl)phenyl]ethenyl]phenyl]carbazole
CID 144810532
4-[(Z)-2-(4-carbazol-9-ylphenyl)-2-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]ethenyl]-N-phenylaniline
CID 121256430
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-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
3-[4-[(E)-2-[4-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenyl]-1-phenylethenyl]phenyl]-9-phenylcarbazole
CID 59236111
CID 158110256
CID 158110256
2-[[4-[3-[9-[4-(2,2-dicyanoethenyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]methylidene]propanedinitrile
CID 122397908
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
3-[3-[4-[(Z)-1,2-diphenylethenyl]naphthalen-1-yl]phenyl]-9-phenylcarbazole
CID 134504611
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-[4-[4-[2,2-bis(4-carbazol-9-ylphenyl)ethenyl]phenyl]phenyl]-1-(4-carbazol-9-ylphenyl)ethenyl]phenyl]carbazole?
The IUPAC name of 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) is 9-[4-[2-[4-[4-[2,2-bis(4-carbazol-9-ylphenyl)ethenyl]phenyl]phenyl]-1-(4-carbazol-9-ylphenyl)ethenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[2-[4-[4-[2,2-bis(4-carbazol-9-ylphenyl)ethenyl]phenyl]phenyl]-1-(4-carbazol-9-ylphenyl)ethenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[2-[4-[4-[2,2-bis(4-carbazol-9-ylphenyl)ethenyl]phenyl]phenyl]-1-(4-carbazol-9-ylphenyl)ethenyl]phenyl]carbazole is C(=C(c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1)c1ccc(-c2ccc(C=C(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of 9-[4-[2-[4-[4-[2,2-bis(4-carbazol-9-ylphenyl)ethenyl]phenyl]phenyl]-1-(4-carbazol-9-ylphenyl)ethenyl]phenyl]carbazole?
The InChIKey is RITMRHNKHXTOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H58N4/c1-9-25-81-71(17-1)72-18-2-10-26-82(72)89(81)67-49-41-63(42-50-67)79(64-43-51-68(52-44-64)90-83-27-11-3-19-73(83)74-20-4-12-28-84(74)90)57-59-33-37-61(38-34-59)62-39-35-60(36-40-62)58-80(65-45-53-69(54-46-65)91-85-29-13-5-21-75(85)76-22-6-14-30-86(76)91)66-47-55-70(56-48-66)92-87-31-15-7-23-77(87)78-24-8-16-32-88(78)92/h1-58H.
What are the key properties of 9-[4-[2-[4-[4-[2,2-bis(4-carbazol-9-ylphenyl)ethenyl]phenyl]phenyl]-1-(4-carbazol-9-ylphenyl)ethenyl]phenyl]carbazole?
9-[4-[2-[4-[4-[2,2-bis(4-carbazol-9-ylphenyl)ethenyl]phenyl]phenyl]-1-(4-carbazol-9-ylphenyl)ethenyl]phenyl]carbazole has a molecular weight of 1171.46 g/mol, XLogP of 22.92, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-[4-[4-[2,2-bis(4-carbazol-9-ylphenyl)ethenyl]phenyl]phenyl]-1-(4-carbazol-9-ylphenyl)ethenyl]phenyl]carbazole is sourced from PubChem (CID 102262971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).