9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole

C54H34N2O — CID 90310026

IUPAC9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc3c4cc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)ccc4n(-c4cccc5oc6ccccc6c45)c3c2)cc1
InChIInChI=1S/C54H34N2O/c1-3-13-35(14-4-1)40-25-28-43-46-33-39(27-30-49(46)56(51(43)34-40)50-22-12-24-53-54(50)44-20-8-10-23-52(44)57-53)37-16-11-15-36(31-37)38-26-29-48-45(32-38)42-19-7-9-21-47(42)55(48)41-17-5-2-6-18-41/h1-34H
InChIKeyANBNEQAZEDJOEF-UHFFFAOYSA-N
MW726.88 g/mol
LogP14.78
Rot. Bonds5

About 9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole

9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole (PubChem CID 90310026) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is 9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
PubChem CID90310026
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC Name9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc3c4cc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)ccc4n(-c4cccc5oc6ccccc6c45)c3c2)cc1
InChIInChI=1S/C54H34N2O/c1-3-13-35(14-4-1)40-25-28-43-46-33-39(27-30-49(46)56(51(43)34-40)50-22-12-24-53-54(50)44-20-8-10-23-52(44)57-53)37-16-11-15-36(31-37)38-26-29-48-45(32-38)42-19-7-9-21-47(42)55(48)41-17-5-2-6-18-41/h1-34H
InChIKeyANBNEQAZEDJOEF-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

3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 168850152
2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 172512187
3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(4-phenylphenyl)benzo[b]carbazole
CID 167244013
2-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167201074
3-[9-(2-dibenzofuran-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753266
6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
CID 170072505
9-dibenzofuran-1-yl-6-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087247
2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167200305
3-(9-phenylcarbazol-2-yl)-9-(4-phenyldibenzofuran-1-yl)carbazole
CID 167200371
3-(9-phenylcarbazol-3-yl)-9-(8-phenyl-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1(18),2,4,6(11),7,9,12(17),13,15-nonaen-4-yl)carbazole
CID 169060676
9-(7-phenyldibenzofuran-1-yl)-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080580

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole?
The IUPAC name of 9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole (CID 90310026) is 9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole.
What is the SMILES notation for 9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole?
The canonical SMILES for 9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole is c1ccc(-c2ccc3c4cc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)ccc4n(-c4cccc5oc6ccccc6c45)c3c2)cc1.
What is the InChIKey of 9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole?
The InChIKey is ANBNEQAZEDJOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-3-13-35(14-4-1)40-25-28-43-46-33-39(27-30-49(46)56(51(43)34-40)50-22-12-24-53-54(50)44-20-8-10-23-52(44)57-53)37-16-11-15-36(31-37)38-26-29-48-45(32-38)42-19-7-9-21-47(42)55(48)41-17-5-2-6-18-41/h1-34H.
What are the key properties of 9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole?
9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole 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 9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole is sourced from PubChem (CID 90310026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).