9-[2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole

C54H35NO — CID 163423190

IUPAC9-[2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole
SMILESc1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4ccccc4-c4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)cc4)c3c2)cc1
InChIInChI=1S/C54H35NO/c1-3-11-36(12-4-1)43-27-30-46-47-31-28-44(37-13-5-2-6-14-37)35-52(47)55(51(46)34-43)50-17-9-7-15-45(50)41-25-23-39(24-26-41)38-19-21-40(22-20-38)42-29-32-54-49(33-42)48-16-8-10-18-53(48)56-54/h1-35H
InChIKeyFGDOHGVMRSKDOA-UHFFFAOYSA-N
MW713.88 g/mol
LogP15.02
Rot. Bonds6

About 9-[2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole

9-[2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole (PubChem CID 163423190) has the molecular formula C54H35NO and a molecular weight of 713.88 g/mol. Its IUPAC name is 9-[2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole.

Molecular Properties

Compound Name9-[2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole
PubChem CID163423190
Molecular FormulaC54H35NO
Molecular Weight713.88 g/mol
Exact Mass713.27
IUPAC Name9-[2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole
SMILESc1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4ccccc4-c4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)cc4)c3c2)cc1
InChIInChI=1S/C54H35NO/c1-3-11-36(12-4-1)43-27-30-46-47-31-28-44(37-13-5-2-6-14-37)35-52(47)55(51(46)34-43)50-17-9-7-15-45(50)41-25-23-39(24-26-41)38-19-21-40(22-20-38)42-29-32-54-49(33-42)48-16-8-10-18-53(48)56-54/h1-35H
InChIKeyFGDOHGVMRSKDOA-UHFFFAOYSA-N
XLogP15.02
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole?
The IUPAC name of 9-[2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole (CID 163423190) is 9-[2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole.
What is the SMILES notation for 9-[2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole?
The canonical SMILES for 9-[2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole is c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4n(-c4ccccc4-c4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)cc4)c3c2)cc1.
What is the InChIKey of 9-[2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole?
The InChIKey is FGDOHGVMRSKDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-3-11-36(12-4-1)43-27-30-46-47-31-28-44(37-13-5-2-6-14-37)35-52(47)55(51(46)34-43)50-17-9-7-15-45(50)41-25-23-39(24-26-41)38-19-21-40(22-20-38)42-29-32-54-49(33-42)48-16-8-10-18-53(48)56-54/h1-35H.
What are the key properties of 9-[2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole?
9-[2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole has a molecular weight of 713.88 g/mol, XLogP of 15.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole is sourced from PubChem (CID 163423190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).