5-(6-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)-3-(9,9-dimethylfluoren-4-yl)benzo[b]carbazole

C57H37N3O — CID 146540586

IUPAC5-(6-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)-3-(9,9-dimethylfluoren-4-yl)benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4c5cc6ccccc6cc5n(-c5nc(-c6ccccc6)c6cc(-c7ccc8oc9ccccc9c8c7)ccc6n5)c4c3)cccc21
InChIInChI=1S/C57H37N3O/c1-57(2)47-20-10-8-18-43(47)54-40(19-12-21-48(54)57)39-23-26-41-44-29-35-15-6-7-16-36(35)32-51(44)60(50(41)33-39)56-58-49-27-24-37(31-46(49)55(59-56)34-13-4-3-5-14-34)38-25-28-53-45(30-38)42-17-9-11-22-52(42)61-53/h3-33H,1-2H3
InChIKeyVXSSYNKWFFSWHO-UHFFFAOYSA-N
MW779.94 g/mol
LogP15.09
Rot. Bonds4

About 5-(6-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)-3-(9,9-dimethylfluoren-4-yl)benzo[b]carbazole

5-(6-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)-3-(9,9-dimethylfluoren-4-yl)benzo[b]carbazole (PubChem CID 146540586) has the molecular formula C57H37N3O and a molecular weight of 779.94 g/mol. Its IUPAC name is 5-(6-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)-3-(9,9-dimethylfluoren-4-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(6-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)-3-(9,9-dimethylfluoren-4-yl)benzo[b]carbazole
PubChem CID146540586
Molecular FormulaC57H37N3O
Molecular Weight779.94 g/mol
Exact Mass779.29
IUPAC Name5-(6-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)-3-(9,9-dimethylfluoren-4-yl)benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4c5cc6ccccc6cc5n(-c5nc(-c6ccccc6)c6cc(-c7ccc8oc9ccccc9c8c7)ccc6n5)c4c3)cccc21
InChIInChI=1S/C57H37N3O/c1-57(2)47-20-10-8-18-43(47)54-40(19-12-21-48(54)57)39-23-26-41-44-29-35-15-6-7-16-36(35)32-51(44)60(50(41)33-39)56-58-49-27-24-37(31-46(49)55(59-56)34-13-4-3-5-14-34)38-25-28-53-45(30-38)42-17-9-11-22-52(42)61-53/h3-33H,1-2H3
InChIKeyVXSSYNKWFFSWHO-UHFFFAOYSA-N
XLogP15.09
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.94
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-dibenzofuran-3-yl-6,7-diphenylquinazolin-2-yl)benzo[b]carbazole;5-[4-(9,9-dimethylfluoren-2-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole;5-[6-phenyl-4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole
CID 158111502
5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole
CID 139361929
5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-dibenzothiophen-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole;5-[7-(9,9-dimethylfluoren-3-yl)-4-phenylquinazolin-2-yl]benzo[b]carbazole
CID 159844636
5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 139361734
4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142568017
5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole
CID 139362284
7-carbazol-9-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole;7-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-4-yl)quinazolin-2-yl]benzo[b]carbazole
CID 159689558
2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90129211
1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 148655486
9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742594
5-(4-dibenzofuran-1-yl-6-phenylquinazolin-2-yl)benzo[b]carbazole;5-(4-dibenzofuran-2-yl-7-phenylquinazolin-2-yl)benzo[b]carbazole;5-(4-dibenzothiophen-1-yl-6-phenylquinazolin-2-yl)benzo[b]carbazole
CID 158295974
6-(9,9-dimethylfluoren-4-yl)-9-naphthalen-1-yl-2-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 145327625

Frequently Asked Questions

What is the IUPAC name of 5-(6-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)-3-(9,9-dimethylfluoren-4-yl)benzo[b]carbazole?
The IUPAC name of 5-(6-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)-3-(9,9-dimethylfluoren-4-yl)benzo[b]carbazole (CID 146540586) is 5-(6-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)-3-(9,9-dimethylfluoren-4-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(6-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)-3-(9,9-dimethylfluoren-4-yl)benzo[b]carbazole?
The canonical SMILES for 5-(6-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)-3-(9,9-dimethylfluoren-4-yl)benzo[b]carbazole is CC1(C)c2ccccc2-c2c(-c3ccc4c5cc6ccccc6cc5n(-c5nc(-c6ccccc6)c6cc(-c7ccc8oc9ccccc9c8c7)ccc6n5)c4c3)cccc21.
What is the InChIKey of 5-(6-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)-3-(9,9-dimethylfluoren-4-yl)benzo[b]carbazole?
The InChIKey is VXSSYNKWFFSWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3O/c1-57(2)47-20-10-8-18-43(47)54-40(19-12-21-48(54)57)39-23-26-41-44-29-35-15-6-7-16-36(35)32-51(44)60(50(41)33-39)56-58-49-27-24-37(31-46(49)55(59-56)34-13-4-3-5-14-34)38-25-28-53-45(30-38)42-17-9-11-22-52(42)61-53/h3-33H,1-2H3.
What are the key properties of 5-(6-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)-3-(9,9-dimethylfluoren-4-yl)benzo[b]carbazole?
5-(6-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)-3-(9,9-dimethylfluoren-4-yl)benzo[b]carbazole has a molecular weight of 779.94 g/mol, XLogP of 15.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)-3-(9,9-dimethylfluoren-4-yl)benzo[b]carbazole is sourced from PubChem (CID 146540586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).