9-[4-[2-(9,9-dimethylfluoren-3-yl)-2-[4-(3,5-diphenylphenyl)phenyl]ethenyl]phenyl]carbazole

C59H43N — CID 144810532

IUPAC9-[4-[2-(9,9-dimethylfluoren-3-yl)-2-[4-(3,5-diphenylphenyl)phenyl]ethenyl]phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2cc(C(=Cc3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)ccc21
InChIInChI=1S/C59H43N/c1-59(2)55-22-12-9-19-50(55)54-39-45(31-34-56(54)59)53(35-40-25-32-49(33-26-40)60-57-23-13-10-20-51(57)52-21-11-14-24-58(52)60)44-29-27-43(28-30-44)48-37-46(41-15-5-3-6-16-41)36-47(38-48)42-17-7-4-8-18-42/h3-39H,1-2H3
InChIKeyAUCFMAYQKZLYCF-UHFFFAOYSA-N
MW766.00 g/mol
LogP15.68
Rot. Bonds7

About 9-[4-[2-(9,9-dimethylfluoren-3-yl)-2-[4-(3,5-diphenylphenyl)phenyl]ethenyl]phenyl]carbazole

9-[4-[2-(9,9-dimethylfluoren-3-yl)-2-[4-(3,5-diphenylphenyl)phenyl]ethenyl]phenyl]carbazole (PubChem CID 144810532) has the molecular formula C59H43N and a molecular weight of 766.00 g/mol. Its IUPAC name is 9-[4-[2-(9,9-dimethylfluoren-3-yl)-2-[4-(3,5-diphenylphenyl)phenyl]ethenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[2-(9,9-dimethylfluoren-3-yl)-2-[4-(3,5-diphenylphenyl)phenyl]ethenyl]phenyl]carbazole
PubChem CID144810532
Molecular FormulaC59H43N
Molecular Weight766.00 g/mol
Exact Mass765.34
IUPAC Name9-[4-[2-(9,9-dimethylfluoren-3-yl)-2-[4-(3,5-diphenylphenyl)phenyl]ethenyl]phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2cc(C(=Cc3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)ccc21
InChIInChI=1S/C59H43N/c1-59(2)55-22-12-9-19-50(55)54-39-45(31-34-56(54)59)53(35-40-25-32-49(33-26-40)60-57-23-13-10-20-51(57)52-21-11-14-24-58(52)60)44-29-27-43(28-30-44)48-37-46(41-15-5-3-6-16-41)36-47(38-48)42-17-7-4-8-18-42/h3-39H,1-2H3
InChIKeyAUCFMAYQKZLYCF-UHFFFAOYSA-N
XLogP15.68
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.00
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-phenyl-3-[(E)-1-phenyl-2-[6,6,12,12-tetramethyl-2-[(E)-2-phenyl-2-(9-phenylcarbazol-3-yl)ethenyl]indeno[1,2-b]fluoren-8-yl]ethenyl]carbazole
CID 59236047
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
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
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine;3-[4-[2-(9,9-dimethylfluoren-3-yl)-1-(4-phenylphenyl)ethenyl]phenyl]-9-phenylcarbazole;N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 163897873
5-(3,5-diphenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797662
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
5-[4-(3,5-diphenylphenyl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 158211170
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
3-(9,9-dimethylfluoren-2-yl)-9-(3,5-diphenylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole;9-(3,5-diphenylphenyl)-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 158206724
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 58059235

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(9,9-dimethylfluoren-3-yl)-2-[4-(3,5-diphenylphenyl)phenyl]ethenyl]phenyl]carbazole?
The IUPAC name of 9-[4-[2-(9,9-dimethylfluoren-3-yl)-2-[4-(3,5-diphenylphenyl)phenyl]ethenyl]phenyl]carbazole (CID 144810532) is 9-[4-[2-(9,9-dimethylfluoren-3-yl)-2-[4-(3,5-diphenylphenyl)phenyl]ethenyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[2-(9,9-dimethylfluoren-3-yl)-2-[4-(3,5-diphenylphenyl)phenyl]ethenyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[2-(9,9-dimethylfluoren-3-yl)-2-[4-(3,5-diphenylphenyl)phenyl]ethenyl]phenyl]carbazole is CC1(C)c2ccccc2-c2cc(C(=Cc3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)ccc21.
What is the InChIKey of 9-[4-[2-(9,9-dimethylfluoren-3-yl)-2-[4-(3,5-diphenylphenyl)phenyl]ethenyl]phenyl]carbazole?
The InChIKey is AUCFMAYQKZLYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H43N/c1-59(2)55-22-12-9-19-50(55)54-39-45(31-34-56(54)59)53(35-40-25-32-49(33-26-40)60-57-23-13-10-20-51(57)52-21-11-14-24-58(52)60)44-29-27-43(28-30-44)48-37-46(41-15-5-3-6-16-41)36-47(38-48)42-17-7-4-8-18-42/h3-39H,1-2H3.
What are the key properties of 9-[4-[2-(9,9-dimethylfluoren-3-yl)-2-[4-(3,5-diphenylphenyl)phenyl]ethenyl]phenyl]carbazole?
9-[4-[2-(9,9-dimethylfluoren-3-yl)-2-[4-(3,5-diphenylphenyl)phenyl]ethenyl]phenyl]carbazole has a molecular weight of 766.00 g/mol, XLogP of 15.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(9,9-dimethylfluoren-3-yl)-2-[4-(3,5-diphenylphenyl)phenyl]ethenyl]phenyl]carbazole is sourced from PubChem (CID 144810532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).