3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane

C52H42N2O — CID 144723930

IUPAC3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane
SMILESCC.CC.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cc(-n6c7ccccc7c7ccccc76)c6oc7ccccc7c6c5)c4)ccc32)cc1
InChIInChI=1S/C48H30N2O.2C2H6/c1-2-15-35(16-3-1)49-42-21-8-6-19-38(42)40-28-33(25-26-45(40)49)31-13-12-14-32(27-31)34-29-41-39-20-7-11-24-47(39)51-48(41)46(30-34)50-43-22-9-4-17-36(43)37-18-5-10-23-44(37)50;2*1-2/h1-30H;2*1-2H3
InChIKeyOPTLUHVWWSUMMY-UHFFFAOYSA-N
MW710.92 g/mol
LogP15.17
Rot. Bonds4

About 3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane

3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane (PubChem CID 144723930) has the molecular formula C52H42N2O and a molecular weight of 710.92 g/mol. Its IUPAC name is 3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane.

Molecular Properties

Compound Name3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane
PubChem CID144723930
Molecular FormulaC52H42N2O
Molecular Weight710.92 g/mol
Exact Mass710.33
IUPAC Name3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane
SMILESCC.CC.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cc(-n6c7ccccc7c7ccccc76)c6oc7ccccc7c6c5)c4)ccc32)cc1
InChIInChI=1S/C48H30N2O.2C2H6/c1-2-15-35(16-3-1)49-42-21-8-6-19-38(42)40-28-33(25-26-45(40)49)31-13-12-14-32(27-31)34-29-41-39-20-7-11-24-47(39)51-48(41)46(30-34)50-43-22-9-4-17-36(43)37-18-5-10-23-44(37)50;2*1-2/h1-30H;2*1-2H3
InChIKeyOPTLUHVWWSUMMY-UHFFFAOYSA-N
XLogP15.17
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.92
LogP ≤ 515.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
CID 167200544
2-[9-(2-phenyldibenzofuran-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167201110
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
3-[9-(2-naphthalen-1-yldibenzofuran-4-yl)carbazol-2-yl]-9-phenylcarbazole
CID 167200561
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
CID 167201246
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
9-dibenzofuran-2-yl-3-[3-(3-phenylphenyl)phenyl]carbazole;3,6-diphenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole;3-[3-(3-phenylphenyl)phenyl]-9-[8-[3-[3-(3-phenylphenyl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 158273380
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
9-(6-carbazol-9-yl-8-dibenzofuran-2-yldibenzofuran-2-yl)carbazole
CID 58099651
3-[9-dibenzofuran-4-yl-6-[3-[8-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]dibenzofuran-4-yl]phenyl]carbazol-3-yl]-6,9-diphenylcarbazole
CID 137420572
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane?
The IUPAC name of 3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane (CID 144723930) is 3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane.
What is the SMILES notation for 3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane?
The canonical SMILES for 3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane is CC.CC.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cc(-n6c7ccccc7c7ccccc76)c6oc7ccccc7c6c5)c4)ccc32)cc1.
What is the InChIKey of 3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane?
The InChIKey is OPTLUHVWWSUMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O.2C2H6/c1-2-15-35(16-3-1)49-42-21-8-6-19-38(42)40-28-33(25-26-45(40)49)31-13-12-14-32(27-31)34-29-41-39-20-7-11-24-47(39)51-48(41)46(30-34)50-43-22-9-4-17-36(43)37-18-5-10-23-44(37)50;2*1-2/h1-30H;2*1-2H3.
What are the key properties of 3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane?
3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane has a molecular weight of 710.92 g/mol, XLogP of 15.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane is sourced from PubChem (CID 144723930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).