4,5-di(dibenzofuran-2-yl)-9-(9,9-dimethylfluoren-4-yl)carbazole

C51H33NO2 — CID 154970897

IUPAC4,5-di(dibenzofuran-2-yl)-9-(9,9-dimethylfluoren-4-yl)carbazole
SMILESCC1(C)c2ccccc2-c2c(-n3c4cccc(-c5ccc6oc7ccccc7c6c5)c4c4c(-c5ccc6oc7ccccc7c6c5)cccc43)cccc21
InChIInChI=1S/C51H33NO2/c1-51(2)39-17-6-3-14-36(39)48-40(51)18-11-21-41(48)52-42-19-9-15-32(30-24-26-46-37(28-30)34-12-4-7-22-44(34)53-46)49(42)50-33(16-10-20-43(50)52)31-25-27-47-38(29-31)35-13-5-8-23-45(35)54-47/h3-29H,1-2H3
InChIKeyDUWLFQJVCMDMGD-UHFFFAOYSA-N
MW691.83 g/mol
LogP14.22
Rot. Bonds3

About 4,5-di(dibenzofuran-2-yl)-9-(9,9-dimethylfluoren-4-yl)carbazole

4,5-di(dibenzofuran-2-yl)-9-(9,9-dimethylfluoren-4-yl)carbazole (PubChem CID 154970897) has the molecular formula C51H33NO2 and a molecular weight of 691.83 g/mol. Its IUPAC name is 4,5-di(dibenzofuran-2-yl)-9-(9,9-dimethylfluoren-4-yl)carbazole.

Molecular Properties

Compound Name4,5-di(dibenzofuran-2-yl)-9-(9,9-dimethylfluoren-4-yl)carbazole
PubChem CID154970897
Molecular FormulaC51H33NO2
Molecular Weight691.83 g/mol
Exact Mass691.25
IUPAC Name4,5-di(dibenzofuran-2-yl)-9-(9,9-dimethylfluoren-4-yl)carbazole
SMILESCC1(C)c2ccccc2-c2c(-n3c4cccc(-c5ccc6oc7ccccc7c6c5)c4c4c(-c5ccc6oc7ccccc7c6c5)cccc43)cccc21
InChIInChI=1S/C51H33NO2/c1-51(2)39-17-6-3-14-36(39)48-40(51)18-11-21-41(48)52-42-19-9-15-32(30-24-26-46-37(28-30)34-12-4-7-22-44(34)53-46)49(42)50-33(16-10-20-43(50)52)31-25-27-47-38(29-31)35-13-5-8-23-45(35)54-47/h3-29H,1-2H3
InChIKeyDUWLFQJVCMDMGD-UHFFFAOYSA-N
XLogP14.22
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.83
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(9-dibenzofuran-2-yldibenzofuran-1-yl)carbazole
CID 170276500
1-[8-dibenzofuran-1-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran
CID 159724531
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146664841
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-4-amine
CID 138577308
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
6-[3-(9,9,14,14-tetramethyl-6-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 142487678
3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037350
2-[10-(9,9-dimethylfluoren-4-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59195200
2-dibenzofuran-2-yl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170143174
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
9-[6-carbazol-9-yl-4-(2-carbazol-9-yl-6-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazole
CID 171578653

Frequently Asked Questions

What is the IUPAC name of 4,5-di(dibenzofuran-2-yl)-9-(9,9-dimethylfluoren-4-yl)carbazole?
The IUPAC name of 4,5-di(dibenzofuran-2-yl)-9-(9,9-dimethylfluoren-4-yl)carbazole (CID 154970897) is 4,5-di(dibenzofuran-2-yl)-9-(9,9-dimethylfluoren-4-yl)carbazole.
What is the SMILES notation for 4,5-di(dibenzofuran-2-yl)-9-(9,9-dimethylfluoren-4-yl)carbazole?
The canonical SMILES for 4,5-di(dibenzofuran-2-yl)-9-(9,9-dimethylfluoren-4-yl)carbazole is CC1(C)c2ccccc2-c2c(-n3c4cccc(-c5ccc6oc7ccccc7c6c5)c4c4c(-c5ccc6oc7ccccc7c6c5)cccc43)cccc21.
What is the InChIKey of 4,5-di(dibenzofuran-2-yl)-9-(9,9-dimethylfluoren-4-yl)carbazole?
The InChIKey is DUWLFQJVCMDMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33NO2/c1-51(2)39-17-6-3-14-36(39)48-40(51)18-11-21-41(48)52-42-19-9-15-32(30-24-26-46-37(28-30)34-12-4-7-22-44(34)53-46)49(42)50-33(16-10-20-43(50)52)31-25-27-47-38(29-31)35-13-5-8-23-45(35)54-47/h3-29H,1-2H3.
What are the key properties of 4,5-di(dibenzofuran-2-yl)-9-(9,9-dimethylfluoren-4-yl)carbazole?
4,5-di(dibenzofuran-2-yl)-9-(9,9-dimethylfluoren-4-yl)carbazole has a molecular weight of 691.83 g/mol, XLogP of 14.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(dibenzofuran-2-yl)-9-(9,9-dimethylfluoren-4-yl)carbazole is sourced from PubChem (CID 154970897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).