3-(9,9-dimethylfluoren-3-yl)-9-[1-(8-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]carbazole

C57H37NOS — CID 163676396

IUPAC3-(9,9-dimethylfluoren-3-yl)-9-[1-(8-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4cccc5sc6ccc(-c7ccccc7)cc6c45)c4c(c3)oc3ccccc34)ccc21
InChIInChI=1S/C57H37NOS/c1-57(2)47-19-9-6-15-39(47)43-29-36(23-26-48(43)57)37-24-27-50-44(30-37)40-16-7-10-20-49(40)58(50)38-32-45(55-42-17-8-11-21-51(42)59-52(55)33-38)41-18-12-22-54-56(41)46-31-35(25-28-53(46)60-54)34-13-4-3-5-14-34/h3-33H,1-2H3
InChIKeyJHBPJMGJZGRTHM-UHFFFAOYSA-N
MW784.00 g/mol
LogP16.36
Rot. Bonds4

About 3-(9,9-dimethylfluoren-3-yl)-9-[1-(8-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]carbazole

3-(9,9-dimethylfluoren-3-yl)-9-[1-(8-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]carbazole (PubChem CID 163676396) has the molecular formula C57H37NOS and a molecular weight of 784.00 g/mol. Its IUPAC name is 3-(9,9-dimethylfluoren-3-yl)-9-[1-(8-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name3-(9,9-dimethylfluoren-3-yl)-9-[1-(8-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]carbazole
PubChem CID163676396
Molecular FormulaC57H37NOS
Molecular Weight784.00 g/mol
Exact Mass783.26
IUPAC Name3-(9,9-dimethylfluoren-3-yl)-9-[1-(8-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4cccc5sc6ccc(-c7ccccc7)cc6c45)c4c(c3)oc3ccccc34)ccc21
InChIInChI=1S/C57H37NOS/c1-57(2)47-19-9-6-15-39(47)43-29-36(23-26-48(43)57)37-24-27-50-44(30-37)40-16-7-10-20-49(40)58(50)38-32-45(55-42-17-8-11-21-51(42)59-52(55)33-38)41-18-12-22-54-56(41)46-31-35(25-28-53(46)60-54)34-13-4-3-5-14-34/h3-33H,1-2H3
InChIKeyJHBPJMGJZGRTHM-UHFFFAOYSA-N
XLogP16.36
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.00
LogP ≤ 516.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylfluoren-3-yl)-9-[1-(8-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]carbazole?
The IUPAC name of 3-(9,9-dimethylfluoren-3-yl)-9-[1-(8-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]carbazole (CID 163676396) is 3-(9,9-dimethylfluoren-3-yl)-9-[1-(8-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 3-(9,9-dimethylfluoren-3-yl)-9-[1-(8-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]carbazole?
The canonical SMILES for 3-(9,9-dimethylfluoren-3-yl)-9-[1-(8-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]carbazole is CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4cccc5sc6ccc(-c7ccccc7)cc6c45)c4c(c3)oc3ccccc34)ccc21.
What is the InChIKey of 3-(9,9-dimethylfluoren-3-yl)-9-[1-(8-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]carbazole?
The InChIKey is JHBPJMGJZGRTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NOS/c1-57(2)47-19-9-6-15-39(47)43-29-36(23-26-48(43)57)37-24-27-50-44(30-37)40-16-7-10-20-49(40)58(50)38-32-45(55-42-17-8-11-21-51(42)59-52(55)33-38)41-18-12-22-54-56(41)46-31-35(25-28-53(46)60-54)34-13-4-3-5-14-34/h3-33H,1-2H3.
What are the key properties of 3-(9,9-dimethylfluoren-3-yl)-9-[1-(8-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]carbazole?
3-(9,9-dimethylfluoren-3-yl)-9-[1-(8-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]carbazole has a molecular weight of 784.00 g/mol, XLogP of 16.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylfluoren-3-yl)-9-[1-(8-phenyldibenzothiophen-1-yl)dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 163676396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).