9-(3-phenylphenyl)-3-[9-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-yl]carbazole

C56H35N3O — CID 134594925

IUPAC9-(3-phenylphenyl)-3-[9-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc5oc6cc(-c7ccc8c(c7)c7ccccc7n8-c7cccc(-c8ccccc8)c7)ccc6c45)nc4ccccc34)c2)cc1
InChIInChI=1S/C56H35N3O/c1-3-14-36(15-4-1)38-18-11-20-42(32-38)55-45-23-7-9-25-49(45)57-56(58-55)47-24-13-27-52-54(47)46-30-28-41(35-53(46)60-52)40-29-31-51-48(34-40)44-22-8-10-26-50(44)59(51)43-21-12-19-39(33-43)37-16-5-2-6-17-37/h1-35H
InChIKeyOQWMQOBZPQSCMV-UHFFFAOYSA-N
MW765.92 g/mol
LogP14.96
Rot. Bonds6

About 9-(3-phenylphenyl)-3-[9-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-yl]carbazole

9-(3-phenylphenyl)-3-[9-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-yl]carbazole (PubChem CID 134594925) has the molecular formula C56H35N3O and a molecular weight of 765.92 g/mol. Its IUPAC name is 9-(3-phenylphenyl)-3-[9-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name9-(3-phenylphenyl)-3-[9-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-yl]carbazole
PubChem CID134594925
Molecular FormulaC56H35N3O
Molecular Weight765.92 g/mol
Exact Mass765.28
IUPAC Name9-(3-phenylphenyl)-3-[9-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-yl]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc5oc6cc(-c7ccc8c(c7)c7ccccc7n8-c7cccc(-c8ccccc8)c7)ccc6c45)nc4ccccc34)c2)cc1
InChIInChI=1S/C56H35N3O/c1-3-14-36(15-4-1)38-18-11-20-42(32-38)55-45-23-7-9-25-49(45)57-56(58-55)47-24-13-27-52-54(47)46-30-28-41(35-53(46)60-52)40-29-31-51-48(34-40)44-22-8-10-26-50(44)59(51)43-21-12-19-39(33-43)37-16-5-2-6-17-37/h1-35H
InChIKeyOQWMQOBZPQSCMV-UHFFFAOYSA-N
XLogP14.96
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.92
LogP ≤ 514.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]indolo[3,2-b]carbazole
CID 146334039
9-(3-phenylphenyl)-3-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 168767909
3-dibenzofuran-1-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzofuran-1-yl-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165052317
3-dibenzofuran-2-yl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole;2,7-diphenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole;3,6-diphenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole
CID 158774380
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168767935
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[8-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377414
9-(3-dibenzofuran-1-ylphenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149426
3-[9-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118888276
3-dibenzofuran-3-yl-9-[3-[6-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-4-[4-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 126631957
3-[3-[3-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 168768477
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[3-[2-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 122677106
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 121444205

Frequently Asked Questions

What is the IUPAC name of 9-(3-phenylphenyl)-3-[9-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-yl]carbazole?
The IUPAC name of 9-(3-phenylphenyl)-3-[9-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-yl]carbazole (CID 134594925) is 9-(3-phenylphenyl)-3-[9-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 9-(3-phenylphenyl)-3-[9-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-yl]carbazole?
The canonical SMILES for 9-(3-phenylphenyl)-3-[9-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-yl]carbazole is c1ccc(-c2cccc(-c3nc(-c4cccc5oc6cc(-c7ccc8c(c7)c7ccccc7n8-c7cccc(-c8ccccc8)c7)ccc6c45)nc4ccccc34)c2)cc1.
What is the InChIKey of 9-(3-phenylphenyl)-3-[9-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-yl]carbazole?
The InChIKey is OQWMQOBZPQSCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3O/c1-3-14-36(15-4-1)38-18-11-20-42(32-38)55-45-23-7-9-25-49(45)57-56(58-55)47-24-13-27-52-54(47)46-30-28-41(35-53(46)60-52)40-29-31-51-48(34-40)44-22-8-10-26-50(44)59(51)43-21-12-19-39(33-43)37-16-5-2-6-17-37/h1-35H.
What are the key properties of 9-(3-phenylphenyl)-3-[9-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-yl]carbazole?
9-(3-phenylphenyl)-3-[9-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-yl]carbazole has a molecular weight of 765.92 g/mol, XLogP of 14.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-phenylphenyl)-3-[9-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 134594925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).