12-[4-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole

C53H35N3O — CID 71291244

IUPAC12-[4-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccccc5n4)cc3)c21
InChIInChI=1S/C53H35N3O/c1-53(2)43-18-7-3-14-41(43)48-44(53)31-30-39-37-12-5-9-20-46(37)56(50(39)48)35-28-26-34(27-29-35)52-54-45-19-8-4-15-42(45)49(55-52)33-24-22-32(23-25-33)36-16-11-17-40-38-13-6-10-21-47(38)57-51(36)40/h3-31H,1-2H3
InChIKeyONWHPEGLDNBZDJ-UHFFFAOYSA-N
MW729.88 g/mol
LogP13.93
Rot. Bonds4

About 12-[4-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole

12-[4-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole (PubChem CID 71291244) has the molecular formula C53H35N3O and a molecular weight of 729.88 g/mol. Its IUPAC name is 12-[4-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole.

Molecular Properties

Compound Name12-[4-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
PubChem CID71291244
Molecular FormulaC53H35N3O
Molecular Weight729.88 g/mol
Exact Mass729.28
IUPAC Name12-[4-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccccc5n4)cc3)c21
InChIInChI=1S/C53H35N3O/c1-53(2)43-18-7-3-14-41(43)48-44(53)31-30-39-37-12-5-9-20-46(37)56(50(39)48)35-28-26-34(27-29-35)52-54-45-19-8-4-15-42(45)49(55-52)33-24-22-32(23-25-33)36-16-11-17-40-38-13-6-10-21-47(38)57-51(36)40/h3-31H,1-2H3
InChIKeyONWHPEGLDNBZDJ-UHFFFAOYSA-N
XLogP13.93
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.88
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 12-[4-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole?
The IUPAC name of 12-[4-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole (CID 71291244) is 12-[4-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole.
What is the SMILES notation for 12-[4-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole?
The canonical SMILES for 12-[4-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole is CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(-c4nc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)c5ccccc5n4)cc3)c21.
What is the InChIKey of 12-[4-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole?
The InChIKey is ONWHPEGLDNBZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3O/c1-53(2)43-18-7-3-14-41(43)48-44(53)31-30-39-37-12-5-9-20-46(37)56(50(39)48)35-28-26-34(27-29-35)52-54-45-19-8-4-15-42(45)49(55-52)33-24-22-32(23-25-33)36-16-11-17-40-38-13-6-10-21-47(38)57-51(36)40/h3-31H,1-2H3.
What are the key properties of 12-[4-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole?
12-[4-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole has a molecular weight of 729.88 g/mol, XLogP of 13.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[4-(4-dibenzofuran-4-ylphenyl)quinazolin-2-yl]phenyl]-7,7-dimethylindeno[1,2-a]carbazole is sourced from PubChem (CID 71291244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).