2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole

C48H31NO — CID 122492294

IUPAC2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc(-c4cccc5c4oc4ccccc45)c3)c2)cc1
InChIInChI=1S/C48H31NO/c1-3-13-32(14-4-1)33-15-11-16-34(27-33)36-28-37(30-38(29-36)40-21-12-22-44-43-20-8-10-24-47(43)50-48(40)44)35-25-26-42-41-19-7-9-23-45(41)49(46(42)31-35)39-17-5-2-6-18-39/h1-31H
InChIKeyUUZUQCCQPJMXHR-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.35
Rot. Bonds5

About 2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole

2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole (PubChem CID 122492294) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is 2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole
PubChem CID122492294
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC Name2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc(-c4cccc5c4oc4ccccc45)c3)c2)cc1
InChIInChI=1S/C48H31NO/c1-3-13-32(14-4-1)33-15-11-16-34(27-33)36-28-37(30-38(29-36)40-21-12-22-44-43-20-8-10-24-47(43)50-48(40)44)35-25-26-42-41-19-7-9-23-45(41)49(46(42)31-35)39-17-5-2-6-18-39/h1-31H
InChIKeyUUZUQCCQPJMXHR-UHFFFAOYSA-N
XLogP13.35
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.78
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492307
2-[9-[3-(3-dibenzofuran-4-ylphenyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 166509994
11-(4-dibenzofuran-4-ylphenyl)-3,5-diphenylindolo[3,2-b]carbazole
CID 126580169
3-dibenzofuran-4-yl-N-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 121443723
N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-5-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118640922
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
2-[2-[3-bromo-5-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 122666247
2,7-di(dibenzofuran-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496633
12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
CID 126580151
3-[3-[3-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N,N-diphenylaniline;N-[3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N,3-diphenylaniline
CID 162242115
N-[4-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443631
9-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenylcarbazole
CID 170285075

Frequently Asked Questions

What is the IUPAC name of 2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole?
The IUPAC name of 2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole (CID 122492294) is 2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole is c1ccc(-c2cccc(-c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc(-c4cccc5c4oc4ccccc45)c3)c2)cc1.
What is the InChIKey of 2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole?
The InChIKey is UUZUQCCQPJMXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-3-13-32(14-4-1)33-15-11-16-34(27-33)36-28-37(30-38(29-36)40-21-12-22-44-43-20-8-10-24-47(43)50-48(40)44)35-25-26-42-41-19-7-9-23-45(41)49(46(42)31-35)39-17-5-2-6-18-39/h1-31H.
What are the key properties of 2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole?
2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole has a molecular weight of 637.78 g/mol, XLogP of 13.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-dibenzofuran-4-yl-5-(3-phenylphenyl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 122492294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).