2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole

C54H34N2O — CID 166509994

IUPAC2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6cccc(-c7cccc(-c8cccc9c8oc8ccccc89)c7)c6)c5c4)cc32)cc1
InChIInChI=1S/C54H34N2O/c1-2-16-40(17-3-1)55-49-24-7-4-19-43(49)45-29-27-37(33-51(45)55)38-28-30-46-44-20-5-8-25-50(44)56(52(46)34-38)41-18-11-14-36(32-41)35-13-10-15-39(31-35)42-22-12-23-48-47-21-6-9-26-53(47)57-54(42)48/h1-34H
InChIKeyJVIROKDFWXXMII-UHFFFAOYSA-N
MW726.88 g/mol
LogP14.78
Rot. Bonds5

About 2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole

2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole (PubChem CID 166509994) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is 2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
PubChem CID166509994
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC Name2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6cccc(-c7cccc(-c8cccc9c8oc8ccccc89)c7)c6)c5c4)cc32)cc1
InChIInChI=1S/C54H34N2O/c1-2-16-40(17-3-1)55-49-24-7-4-19-43(49)45-29-27-37(33-51(45)55)38-28-30-46-44-20-5-8-25-50(44)56(52(46)34-38)41-18-11-14-36(32-41)35-13-10-15-39(31-35)42-22-12-23-48-47-21-6-9-26-53(47)57-54(42)48/h1-34H
InChIKeyJVIROKDFWXXMII-UHFFFAOYSA-N
XLogP14.78
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492307
2-dibenzofuran-4-yl-9-(3-triphenylen-2-ylphenyl)carbazole
CID 87156606
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole
CID 122492294
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
CID 126580169
5-(3-dibenzofuran-4-ylphenyl)-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 171414718
2,7-di(dibenzofuran-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496633
2,7-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87156561
9-[3-[8-[3-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole
CID 118438864
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]aniline
CID 88862471
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole
CID 170285075

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole (CID 166509994) is 2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c6ccccc6n(-c6cccc(-c7cccc(-c8cccc9c8oc8ccccc89)c7)c6)c5c4)cc32)cc1.
What is the InChIKey of 2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is JVIROKDFWXXMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-2-16-40(17-3-1)55-49-24-7-4-19-43(49)45-29-27-37(33-51(45)55)38-28-30-46-44-20-5-8-25-50(44)56(52(46)34-38)41-18-11-14-36(32-41)35-13-10-15-39(31-35)42-22-12-23-48-47-21-6-9-26-53(47)57-54(42)48/h1-34H.
What are the key properties of 2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole?
2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 726.88 g/mol, XLogP of 14.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 166509994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).