2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole

C57H40N2 — CID 122492205

IUPAC2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c3)cc21
InChIInChI=1S/C57H40N2/c1-57(2)51-22-12-9-19-45(51)46-28-25-39(35-52(46)57)41-31-42(40-26-29-49-47-20-10-13-23-53(47)58(56(49)36-40)43-17-7-4-8-18-43)33-44(32-41)59-54-24-14-11-21-48(54)50-34-38(27-30-55(50)59)37-15-5-3-6-16-37/h3-36H,1-2H3
InChIKeyGPZCCTMVCCGRHN-UHFFFAOYSA-N
MW752.96 g/mol
LogP15.19
Rot. Bonds5

About 2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole

2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole (PubChem CID 122492205) has the molecular formula C57H40N2 and a molecular weight of 752.96 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
PubChem CID122492205
Molecular FormulaC57H40N2
Molecular Weight752.96 g/mol
Exact Mass752.32
IUPAC Name2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c3)cc21
InChIInChI=1S/C57H40N2/c1-57(2)51-22-12-9-19-45(51)46-28-25-39(35-52(46)57)41-31-42(40-26-29-49-47-20-10-13-23-53(47)58(56(49)36-40)43-17-7-4-8-18-43)33-44(32-41)59-54-24-14-11-21-48(54)50-34-38(27-30-55(50)59)37-15-5-3-6-16-37/h3-36H,1-2H3
InChIKeyGPZCCTMVCCGRHN-UHFFFAOYSA-N
XLogP15.19
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.96
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-carbazol-9-yl-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole;2-[3-(3-phenylcarbazol-9-yl)-5-(4-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 159307111
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
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-(3,5-diphenylphenyl)-2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 90337279
5-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534738
9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-(3-triphenylen-2-ylphenyl)carbazole
CID 118919744
2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
6-(9,9-dimethylfluoren-2-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 145327666
2-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;9-(4-naphthalen-1-ylphenyl)-2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]carbazole
CID 161262877

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole (CID 122492205) is 2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc(-n4c5ccccc5c5cc(-c6ccccc6)ccc54)c3)cc21.
What is the InChIKey of 2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole?
The InChIKey is GPZCCTMVCCGRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2/c1-57(2)51-22-12-9-19-45(51)46-28-25-39(35-52(46)57)41-31-42(40-26-29-49-47-20-10-13-23-53(47)58(56(49)36-40)43-17-7-4-8-18-43)33-44(32-41)59-54-24-14-11-21-48(54)50-34-38(27-30-55(50)59)37-15-5-3-6-16-37/h3-36H,1-2H3.
What are the key properties of 2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole?
2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole has a molecular weight of 752.96 g/mol, XLogP of 15.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 122492205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).