3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole

C54H32N2O2 — CID 123500568

IUPAC3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
SMILESc1ccc(-c2ccc3oc4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7cccc8c7oc7ccccc78)ccc65)cc4c3c2)cc1
InChIInChI=1S/C54H32N2O2/c1-2-11-33(12-3-1)34-23-27-52-44(31-34)45-32-37(24-28-53(45)57-52)55-46-17-7-4-13-38(46)42-29-35(21-25-48(42)55)36-22-26-49-43(30-36)39-14-5-8-18-47(39)56(49)50-19-10-16-41-40-15-6-9-20-51(40)58-54(41)50/h1-32H
InChIKeyWLABVKJKJKRGQB-UHFFFAOYSA-N
MW740.86 g/mol
LogP15.01
Rot. Bonds4

About 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole

3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole (PubChem CID 123500568) has the molecular formula C54H32N2O2 and a molecular weight of 740.86 g/mol. Its IUPAC name is 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole.

Molecular Properties

Compound Name3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
PubChem CID123500568
Molecular FormulaC54H32N2O2
Molecular Weight740.86 g/mol
Exact Mass740.25
IUPAC Name3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
SMILESc1ccc(-c2ccc3oc4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7cccc8c7oc7ccccc78)ccc65)cc4c3c2)cc1
InChIInChI=1S/C54H32N2O2/c1-2-11-33(12-3-1)34-23-27-52-44(31-34)45-32-37(24-28-53(45)57-52)55-46-17-7-4-13-38(46)42-29-35(21-25-48(42)55)36-22-26-49-43(30-36)39-14-5-8-18-47(39)56(49)50-19-10-16-41-40-15-6-9-20-51(40)58-54(41)50/h1-32H
InChIKeyWLABVKJKJKRGQB-UHFFFAOYSA-N
XLogP15.01
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.86
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[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
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
3-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole
CID 167701543
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3-(6-carbazol-9-yldibenzofuran-2-yl)-9-dibenzofuran-4-ylcarbazole
CID 58058989
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981
3-carbazol-9-yl-9-(9-dibenzofuran-2-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole
CID 161172742
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
3-(9-dibenzofuran-2-yl-6-methylcarbazol-2-yl)-6-methyl-9-phenylcarbazole;3-(9-dibenzofuran-3-yl-6-methylcarbazol-2-yl)-6-methyl-9-phenylcarbazole;3-(9-dibenzofuran-4-yl-6-methylcarbazol-2-yl)-6-methyl-9-phenylcarbazole;3-(9-dibenzofuran-2-yl-6-phenylcarbazol-2-yl)-6,9-diphenylcarbazole;3-(9-dibenzofuran-3-yl-6-phenylcarbazol-2-yl)-6,9-diphenylcarbazole;3-(9-dibenzofuran-4-yl-6-phenylcarbazol-2-yl)-6,9-diphenylcarbazole
CID 159023414

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole?
The IUPAC name of 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole (CID 123500568) is 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole.
What is the SMILES notation for 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole?
The canonical SMILES for 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole is c1ccc(-c2ccc3oc4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7cccc8c7oc7ccccc78)ccc65)cc4c3c2)cc1.
What is the InChIKey of 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole?
The InChIKey is WLABVKJKJKRGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O2/c1-2-11-33(12-3-1)34-23-27-52-44(31-34)45-32-37(24-28-53(45)57-52)55-46-17-7-4-13-38(46)42-29-35(21-25-48(42)55)36-22-26-49-43(30-36)39-14-5-8-18-47(39)56(49)50-19-10-16-41-40-15-6-9-20-51(40)58-54(41)50/h1-32H.
What are the key properties of 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole?
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole has a molecular weight of 740.86 g/mol, XLogP of 15.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole is sourced from PubChem (CID 123500568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).