6-carbazol-9-yl-1-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-9H-carbazole;ethane;molecular hydrogen

C50H38N2O — CID 142568052

IUPAC6-carbazol-9-yl-1-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-9H-carbazole;ethane;molecular hydrogen
SMILESCC.[H][H].c1cc(-c2cccc(-c3cccc4oc5ccccc5c34)c2)cc(-c2cccc3c2[nH]c2ccc(-n4c5ccccc5c5ccccc54)cc23)c1
InChIInChI=1S/C48H30N2O.C2H6.H2/c1-4-21-43-37(15-1)38-16-2-5-22-44(38)50(43)34-25-26-42-41(29-34)39-20-9-19-36(48(39)49-42)33-14-8-12-31(28-33)30-11-7-13-32(27-30)35-18-10-24-46-47(35)40-17-3-6-23-45(40)51-46;1-2;/h1-29,49H;1-2H3;1H
InChIKeyUYFCWRLBRYBDJK-UHFFFAOYSA-N
MW682.87 g/mol
LogP14.59
Rot. Bonds4

About 6-carbazol-9-yl-1-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-9H-carbazole;ethane;molecular hydrogen

6-carbazol-9-yl-1-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-9H-carbazole;ethane;molecular hydrogen (PubChem CID 142568052) has the molecular formula C50H38N2O and a molecular weight of 682.87 g/mol. Its IUPAC name is 6-carbazol-9-yl-1-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-9H-carbazole;ethane;molecular hydrogen.

Molecular Properties

Compound Name6-carbazol-9-yl-1-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-9H-carbazole;ethane;molecular hydrogen
PubChem CID142568052
Molecular FormulaC50H38N2O
Molecular Weight682.87 g/mol
Exact Mass682.30
IUPAC Name6-carbazol-9-yl-1-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-9H-carbazole;ethane;molecular hydrogen
SMILESCC.[H][H].c1cc(-c2cccc(-c3cccc4oc5ccccc5c34)c2)cc(-c2cccc3c2[nH]c2ccc(-n4c5ccccc5c5ccccc54)cc23)c1
InChIInChI=1S/C48H30N2O.C2H6.H2/c1-4-21-43-37(15-1)38-16-2-5-22-44(38)50(43)34-25-26-42-41(29-34)39-20-9-19-36(48(39)49-42)33-14-8-12-31(28-33)30-11-7-13-32(27-30)35-18-10-24-46-47(35)40-17-3-6-23-45(40)51-46;1-2;/h1-29,49H;1-2H3;1H
InChIKeyUYFCWRLBRYBDJK-UHFFFAOYSA-N
XLogP14.59
TPSA33.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.87
LogP ≤ 514.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 167329299
6-carbazol-9-yl-1-[3-[6-[7-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]dibenzofuran-4-yl]phenyl]-9H-carbazole
CID 142568681
N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-dibenzofuran-1-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155649267
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-3-phenylaniline
CID 155398563
2-dibenzofuran-1-yl-9-dibenzofuran-2-yl-7-phenylcarbazole
CID 130232982
9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole
CID 163638937
3-dibenzofuran-1-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165052317
4-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155398444
7-(3-dibenzofuran-1-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 171612106
N-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-1-yl-N-phenylaniline
CID 155398130
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-3-(3-phenylphenyl)aniline
CID 155398231

Frequently Asked Questions

What is the IUPAC name of 6-carbazol-9-yl-1-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-9H-carbazole;ethane;molecular hydrogen?
The IUPAC name of 6-carbazol-9-yl-1-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-9H-carbazole;ethane;molecular hydrogen (CID 142568052) is 6-carbazol-9-yl-1-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-9H-carbazole;ethane;molecular hydrogen.
What is the SMILES notation for 6-carbazol-9-yl-1-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-9H-carbazole;ethane;molecular hydrogen?
The canonical SMILES for 6-carbazol-9-yl-1-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-9H-carbazole;ethane;molecular hydrogen is CC.[H][H].c1cc(-c2cccc(-c3cccc4oc5ccccc5c34)c2)cc(-c2cccc3c2[nH]c2ccc(-n4c5ccccc5c5ccccc54)cc23)c1.
What is the InChIKey of 6-carbazol-9-yl-1-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-9H-carbazole;ethane;molecular hydrogen?
The InChIKey is UYFCWRLBRYBDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O.C2H6.H2/c1-4-21-43-37(15-1)38-16-2-5-22-44(38)50(43)34-25-26-42-41(29-34)39-20-9-19-36(48(39)49-42)33-14-8-12-31(28-33)30-11-7-13-32(27-30)35-18-10-24-46-47(35)40-17-3-6-23-45(40)51-46;1-2;/h1-29,49H;1-2H3;1H.
What are the key properties of 6-carbazol-9-yl-1-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-9H-carbazole;ethane;molecular hydrogen?
6-carbazol-9-yl-1-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-9H-carbazole;ethane;molecular hydrogen has a molecular weight of 682.87 g/mol, XLogP of 14.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbazol-9-yl-1-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-9H-carbazole;ethane;molecular hydrogen is sourced from PubChem (CID 142568052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).