3-[9-(2,4-diphenylquinazolin-7-yl)dibenzofuran-2-yl]-9-naphthalen-1-ylcarbazole

C54H33N3O — CID 134594940

IUPAC3-[9-(2,4-diphenylquinazolin-7-yl)dibenzofuran-2-yl]-9-naphthalen-1-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)c3ccc(-c4cccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7cccc8ccccc78)cc6c45)cc3n2)cc1
InChIInChI=1S/C54H33N3O/c1-3-14-35(15-4-1)53-43-28-25-39(33-46(43)55-54(56-53)36-16-5-2-6-17-36)41-21-12-24-51-52(41)45-32-38(27-30-50(45)58-51)37-26-29-49-44(31-37)42-20-9-10-22-48(42)57(49)47-23-11-18-34-13-7-8-19-40(34)47/h1-33H
InChIKeyQZVMGBODROCVGD-UHFFFAOYSA-N
MW739.88 g/mol
LogP14.45
Rot. Bonds5

About 3-[9-(2,4-diphenylquinazolin-7-yl)dibenzofuran-2-yl]-9-naphthalen-1-ylcarbazole

3-[9-(2,4-diphenylquinazolin-7-yl)dibenzofuran-2-yl]-9-naphthalen-1-ylcarbazole (PubChem CID 134594940) has the molecular formula C54H33N3O and a molecular weight of 739.88 g/mol. Its IUPAC name is 3-[9-(2,4-diphenylquinazolin-7-yl)dibenzofuran-2-yl]-9-naphthalen-1-ylcarbazole.

Molecular Properties

Compound Name3-[9-(2,4-diphenylquinazolin-7-yl)dibenzofuran-2-yl]-9-naphthalen-1-ylcarbazole
PubChem CID134594940
Molecular FormulaC54H33N3O
Molecular Weight739.88 g/mol
Exact Mass739.26
IUPAC Name3-[9-(2,4-diphenylquinazolin-7-yl)dibenzofuran-2-yl]-9-naphthalen-1-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)c3ccc(-c4cccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7cccc8ccccc78)cc6c45)cc3n2)cc1
InChIInChI=1S/C54H33N3O/c1-3-14-35(15-4-1)53-43-28-25-39(33-46(43)55-54(56-53)36-16-5-2-6-17-36)41-21-12-24-51-52(41)45-32-38(27-30-50(45)58-51)37-26-29-49-44(31-37)42-20-9-10-22-48(42)57(49)47-23-11-18-34-13-7-8-19-40(34)47/h1-33H
InChIKeyQZVMGBODROCVGD-UHFFFAOYSA-N
XLogP14.45
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.88
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole
CID 134594831
3-dibenzofuran-2-yl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
CID 146334282
9-dibenzofuran-1-yl-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 139568398
7-(4-dibenzofuran-1-ylphenyl)-2,4-diphenylquinazoline
CID 146353553
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 169010518
3-(9-phenyldibenzofuran-2-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 167309636
3-phenyl-9-[4-phenyl-6-(9-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 166953160
9-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 165166776
10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole
CID 138475112
3-dibenzofuran-2-yl-9-[7-(2-phenylquinazolin-4-yl)dibenzofuran-4-yl]carbazole
CID 146336134
12-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 126680132

Frequently Asked Questions

What is the IUPAC name of 3-[9-(2,4-diphenylquinazolin-7-yl)dibenzofuran-2-yl]-9-naphthalen-1-ylcarbazole?
The IUPAC name of 3-[9-(2,4-diphenylquinazolin-7-yl)dibenzofuran-2-yl]-9-naphthalen-1-ylcarbazole (CID 134594940) is 3-[9-(2,4-diphenylquinazolin-7-yl)dibenzofuran-2-yl]-9-naphthalen-1-ylcarbazole.
What is the SMILES notation for 3-[9-(2,4-diphenylquinazolin-7-yl)dibenzofuran-2-yl]-9-naphthalen-1-ylcarbazole?
The canonical SMILES for 3-[9-(2,4-diphenylquinazolin-7-yl)dibenzofuran-2-yl]-9-naphthalen-1-ylcarbazole is c1ccc(-c2nc(-c3ccccc3)c3ccc(-c4cccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7cccc8ccccc78)cc6c45)cc3n2)cc1.
What is the InChIKey of 3-[9-(2,4-diphenylquinazolin-7-yl)dibenzofuran-2-yl]-9-naphthalen-1-ylcarbazole?
The InChIKey is QZVMGBODROCVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O/c1-3-14-35(15-4-1)53-43-28-25-39(33-46(43)55-54(56-53)36-16-5-2-6-17-36)41-21-12-24-51-52(41)45-32-38(27-30-50(45)58-51)37-26-29-49-44(31-37)42-20-9-10-22-48(42)57(49)47-23-11-18-34-13-7-8-19-40(34)47/h1-33H.
What are the key properties of 3-[9-(2,4-diphenylquinazolin-7-yl)dibenzofuran-2-yl]-9-naphthalen-1-ylcarbazole?
3-[9-(2,4-diphenylquinazolin-7-yl)dibenzofuran-2-yl]-9-naphthalen-1-ylcarbazole has a molecular weight of 739.88 g/mol, XLogP of 14.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2,4-diphenylquinazolin-7-yl)dibenzofuran-2-yl]-9-naphthalen-1-ylcarbazole is sourced from PubChem (CID 134594940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).