4-[7-[8-(5-carbazol-9-yl-9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]-9,9-dimethylfluoren-4-yl]-9-phenylcarbazole

C72H50N2S — CID 118262649

IUPAC4-[7-[8-(5-carbazol-9-yl-9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]-9,9-dimethylfluoren-4-yl]-9-phenylcarbazole
SMILESCC1(C)c2cc(-c3ccc4sc5ccc(-c6ccc7c(c6)C(C)(C)c6cccc(-n8c9ccccc9c9ccccc98)c6-7)cc5c4c3)ccc2-c2c(-c3cccc4c3c3ccccc3n4-c3ccccc3)cccc21
InChIInChI=1S/C72H50N2S/c1-71(2)57-24-14-22-50(51-23-15-29-64-69(51)54-21-10-13-28-63(54)73(64)47-17-6-5-7-18-47)68(57)52-35-31-45(41-59(52)71)43-33-37-66-55(39-43)56-40-44(34-38-67(56)75-66)46-32-36-53-60(42-46)72(3,4)58-25-16-30-65(70(53)58)74-61-26-11-8-19-48(61)49-20-9-12-27-62(49)74/h5-42H,1-4H3
InChIKeyXAXKTQVGWDQQJI-UHFFFAOYSA-N
MW975.27 g/mol
LogP19.86
Rot. Bonds5

About 4-[7-[8-(5-carbazol-9-yl-9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]-9,9-dimethylfluoren-4-yl]-9-phenylcarbazole

4-[7-[8-(5-carbazol-9-yl-9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]-9,9-dimethylfluoren-4-yl]-9-phenylcarbazole (PubChem CID 118262649) has the molecular formula C72H50N2S and a molecular weight of 975.27 g/mol. Its IUPAC name is 4-[7-[8-(5-carbazol-9-yl-9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]-9,9-dimethylfluoren-4-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[7-[8-(5-carbazol-9-yl-9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]-9,9-dimethylfluoren-4-yl]-9-phenylcarbazole
PubChem CID118262649
Molecular FormulaC72H50N2S
Molecular Weight975.27 g/mol
Exact Mass974.37
IUPAC Name4-[7-[8-(5-carbazol-9-yl-9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]-9,9-dimethylfluoren-4-yl]-9-phenylcarbazole
SMILESCC1(C)c2cc(-c3ccc4sc5ccc(-c6ccc7c(c6)C(C)(C)c6cccc(-n8c9ccccc9c9ccccc98)c6-7)cc5c4c3)ccc2-c2c(-c3cccc4c3c3ccccc3n4-c3ccccc3)cccc21
InChIInChI=1S/C72H50N2S/c1-71(2)57-24-14-22-50(51-23-15-29-64-69(51)54-21-10-13-28-63(54)73(64)47-17-6-5-7-18-47)68(57)52-35-31-45(41-59(52)71)43-33-37-66-55(39-43)56-40-44(34-38-67(56)75-66)46-32-36-53-60(42-46)72(3,4)58-25-16-30-65(70(53)58)74-61-26-11-8-19-48(61)49-20-9-12-27-62(49)74/h5-42H,1-4H3
InChIKeyXAXKTQVGWDQQJI-UHFFFAOYSA-N
XLogP19.86
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.27
LogP ≤ 519.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146664841
4-dibenzothiophen-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
CID 165008355
N,N-bis(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzothiophen-1-amine
CID 138484969
7,7-dimethyl-5-phenyl-2-[9-(9-phenylcarbazol-1-yl)dibenzothiophen-2-yl]indeno[2,1-b]carbazole
CID 134516493
4-[10-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-4-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155334819
2-[9-(2-dibenzothiophen-2-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510089
4-(8-fluoranthen-8-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 122434564
3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 170015355
5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole;12-(9,9-dimethylfluoren-1-yl)-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 158730549
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163711391
3-(8,8-dimethyl-14-phenyl-5-pentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2(7),3,5,9,11,13,15,17,19-decaenyl)-9-phenylcarbazole
CID 130264649
9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(8-phenyldibenzothiophen-2-yl)phenyl]fluoren-1-amine
CID 121358602

Frequently Asked Questions

What is the IUPAC name of 4-[7-[8-(5-carbazol-9-yl-9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]-9,9-dimethylfluoren-4-yl]-9-phenylcarbazole?
The IUPAC name of 4-[7-[8-(5-carbazol-9-yl-9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]-9,9-dimethylfluoren-4-yl]-9-phenylcarbazole (CID 118262649) is 4-[7-[8-(5-carbazol-9-yl-9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]-9,9-dimethylfluoren-4-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[7-[8-(5-carbazol-9-yl-9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]-9,9-dimethylfluoren-4-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[7-[8-(5-carbazol-9-yl-9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]-9,9-dimethylfluoren-4-yl]-9-phenylcarbazole is CC1(C)c2cc(-c3ccc4sc5ccc(-c6ccc7c(c6)C(C)(C)c6cccc(-n8c9ccccc9c9ccccc98)c6-7)cc5c4c3)ccc2-c2c(-c3cccc4c3c3ccccc3n4-c3ccccc3)cccc21.
What is the InChIKey of 4-[7-[8-(5-carbazol-9-yl-9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]-9,9-dimethylfluoren-4-yl]-9-phenylcarbazole?
The InChIKey is XAXKTQVGWDQQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50N2S/c1-71(2)57-24-14-22-50(51-23-15-29-64-69(51)54-21-10-13-28-63(54)73(64)47-17-6-5-7-18-47)68(57)52-35-31-45(41-59(52)71)43-33-37-66-55(39-43)56-40-44(34-38-67(56)75-66)46-32-36-53-60(42-46)72(3,4)58-25-16-30-65(70(53)58)74-61-26-11-8-19-48(61)49-20-9-12-27-62(49)74/h5-42H,1-4H3.
What are the key properties of 4-[7-[8-(5-carbazol-9-yl-9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]-9,9-dimethylfluoren-4-yl]-9-phenylcarbazole?
4-[7-[8-(5-carbazol-9-yl-9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]-9,9-dimethylfluoren-4-yl]-9-phenylcarbazole has a molecular weight of 975.27 g/mol, XLogP of 19.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[8-(5-carbazol-9-yl-9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]-9,9-dimethylfluoren-4-yl]-9-phenylcarbazole is sourced from PubChem (CID 118262649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).