12-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole

C50H29FN4O — CID 71291224

IUPAC12-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole
SMILESFc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccccc5n4)c23)cc1
InChIInChI=1S/C50H29FN4O/c51-32-24-26-33(27-25-32)54-43-18-7-3-13-40(43)46-44(54)29-28-37-35-10-2-6-17-42(35)55(48(37)46)50-52-41-16-5-1-12-39(41)47(53-50)31-22-20-30(21-23-31)34-14-9-15-38-36-11-4-8-19-45(36)56-49(34)38/h1-29H
InChIKeyYGXOEMIJSIWLPC-UHFFFAOYSA-N
MW720.81 g/mol
LogP13.20
Rot. Bonds4

About 12-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole

12-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole (PubChem CID 71291224) has the molecular formula C50H29FN4O and a molecular weight of 720.81 g/mol. Its IUPAC name is 12-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole
PubChem CID71291224
Molecular FormulaC50H29FN4O
Molecular Weight720.81 g/mol
Exact Mass720.23
IUPAC Name12-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole
SMILESFc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccccc5n4)c23)cc1
InChIInChI=1S/C50H29FN4O/c51-32-24-26-33(27-25-32)54-43-18-7-3-13-40(43)46-44(54)29-28-37-35-10-2-6-17-42(35)55(48(37)46)50-52-41-16-5-1-12-39(41)47(53-50)31-22-20-30(21-23-31)34-14-9-15-38-36-11-4-8-19-45(36)56-49(34)38/h1-29H
InChIKeyYGXOEMIJSIWLPC-UHFFFAOYSA-N
XLogP13.20
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.81
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 12-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole?
The IUPAC name of 12-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole (CID 71291224) is 12-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 12-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 12-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole is Fc1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccccc5n4)c23)cc1.
What is the InChIKey of 12-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole?
The InChIKey is YGXOEMIJSIWLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29FN4O/c51-32-24-26-33(27-25-32)54-43-18-7-3-13-40(43)46-44(54)29-28-37-35-10-2-6-17-42(35)55(48(37)46)50-52-41-16-5-1-12-39(41)47(53-50)31-22-20-30(21-23-31)34-14-9-15-38-36-11-4-8-19-45(36)56-49(34)38/h1-29H.
What are the key properties of 12-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole?
12-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole has a molecular weight of 720.81 g/mol, XLogP of 13.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 71291224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).