3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane

C56H40N2O — CID 144605145

IUPAC3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane
SMILESCC.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)ccc43)c2)cc1
InChIInChI=1S/C54H34N2O.C2H6/c1-3-13-35(14-4-1)39-29-40(36-15-5-2-6-16-36)31-42(30-39)56-51-22-12-9-19-45(51)46-32-37(23-26-52(46)56)38-24-27-53-47(33-38)48-34-41(25-28-54(48)57-53)55-49-20-10-7-17-43(49)44-18-8-11-21-50(44)55;1-2/h1-34H;1-2H3
InChIKeySVMHFNPLGCUTBL-UHFFFAOYSA-N
MW756.95 g/mol
LogP15.81
Rot. Bonds5

About 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane

3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane (PubChem CID 144605145) has the molecular formula C56H40N2O and a molecular weight of 756.95 g/mol. Its IUPAC name is 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane.

Molecular Properties

Compound Name3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane
PubChem CID144605145
Molecular FormulaC56H40N2O
Molecular Weight756.95 g/mol
Exact Mass756.31
IUPAC Name3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane
SMILESCC.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)ccc43)c2)cc1
InChIInChI=1S/C54H34N2O.C2H6/c1-3-13-35(14-4-1)39-29-40(36-15-5-2-6-16-36)31-42(30-39)56-51-22-12-9-19-45(51)46-32-37(23-26-52(46)56)38-24-27-53-47(33-38)48-34-41(25-28-54(48)57-53)55-49-20-10-7-17-43(49)44-18-8-11-21-50(44)55;1-2/h1-34H;1-2H3
InChIKeySVMHFNPLGCUTBL-UHFFFAOYSA-N
XLogP15.81
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.95
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole
CID 71100014
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 118505153
3-carbazol-9-yl-9-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]carbazole;3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6,9-diphenylcarbazole;3-dibenzofuran-2-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 159930551
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129265423
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 163479066
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912

Frequently Asked Questions

What is the IUPAC name of 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane?
The IUPAC name of 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane (CID 144605145) is 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane.
What is the SMILES notation for 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane?
The canonical SMILES for 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane is CC.c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c6c5)ccc43)c2)cc1.
What is the InChIKey of 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane?
The InChIKey is SVMHFNPLGCUTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O.C2H6/c1-3-13-35(14-4-1)39-29-40(36-15-5-2-6-16-36)31-42(30-39)56-51-22-12-9-19-45(51)46-32-37(23-26-52(46)56)38-24-27-53-47(33-38)48-34-41(25-28-54(48)57-53)55-49-20-10-7-17-43(49)44-18-8-11-21-50(44)55;1-2/h1-34H;1-2H3.
What are the key properties of 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane?
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane has a molecular weight of 756.95 g/mol, XLogP of 15.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane is sourced from PubChem (CID 144605145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).