2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole

C57H38N2S — CID 130264768

IUPAC2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc4c3sc3ccccc34)cc21
InChIInChI=1S/C57H38N2S/c1-57(2)49-20-10-6-16-40(49)41-27-25-37(31-50(41)57)46-33-39(34-48-45-19-9-13-23-55(45)60-56(46)48)59-52-22-12-8-18-43(52)47-30-35(26-29-53(47)59)36-24-28-44-42-17-7-11-21-51(42)58(54(44)32-36)38-14-4-3-5-15-38/h3-34H,1-2H3
InChIKeyKKRRDXLGVWVCOV-UHFFFAOYSA-N
MW783.01 g/mol
LogP15.89
Rot. Bonds4

About 2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole

2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 130264768) has the molecular formula C57H38N2S and a molecular weight of 783.01 g/mol. Its IUPAC name is 2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID130264768
Molecular FormulaC57H38N2S
Molecular Weight783.01 g/mol
Exact Mass782.28
IUPAC Name2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc4c3sc3ccccc34)cc21
InChIInChI=1S/C57H38N2S/c1-57(2)49-20-10-6-16-40(49)41-27-25-37(31-50(41)57)46-33-39(34-48-45-19-9-13-23-55(45)60-56(46)48)59-52-22-12-8-18-43(52)47-30-35(26-29-53(47)59)36-24-28-44-42-17-7-11-21-51(42)58(54(44)32-36)38-14-4-3-5-15-38/h3-34H,1-2H3
InChIKeyKKRRDXLGVWVCOV-UHFFFAOYSA-N
XLogP15.89
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.01
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(9,9-dimethylfluoren-2-yl)-5-(4-phenyldibenzothiophen-2-yl)phenyl]-9-phenylcarbazole;9-phenyl-2-[3-(4-phenyldibenzothiophen-2-yl)-5-(3-phenylphenyl)phenyl]carbazole;9-phenyl-2-[3-(4-phenyldibenzothiophen-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 157154828
2-(3-dibenzothiophen-4-ylphenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 118013996
2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 122492205
5-[4-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7,7-dimethyl-3-phenylindeno[2,1-b]carbazole;5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 160965207
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-3-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 134223615
2-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-(4-dibenzofuran-4-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-(4-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-4-yl]-9-phenylcarbazole;4-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-2-yl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 159091698
5-[4-[2-[3-[4-[3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-7-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]-6-phenylpyrimidin-4-yl]dibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 134569448
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
4-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole;4-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-4-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(9-phenyltriphenylen-1-yl)carbazole
CID 160732319
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-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9,9-dimethylfluoren-2-yl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;7,7-dimethyl-5-phenyl-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 161187955
5-(4-dibenzothiophen-4-ylphenyl)-12-phenylindolo[3,2-c]carbazole;11-(9,9-dimethylfluoren-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 160917580

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole (CID 130264768) is 2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole is CC1(C)c2ccccc2-c2ccc(-c3cc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc4c3sc3ccccc34)cc21.
What is the InChIKey of 2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is KKRRDXLGVWVCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2S/c1-57(2)49-20-10-6-16-40(49)41-27-25-37(31-50(41)57)46-33-39(34-48-45-19-9-13-23-55(45)60-56(46)48)59-52-22-12-8-18-43(52)47-30-35(26-29-53(47)59)36-24-28-44-42-17-7-11-21-51(42)58(54(44)32-36)38-14-4-3-5-15-38/h3-34H,1-2H3.
What are the key properties of 2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole?
2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 783.01 g/mol, XLogP of 15.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 130264768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).