10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole

C54H33N3O — CID 142568640

IUPAC10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
SMILESc1ccc(-c2nc(-n3c4c(-c5cccc(-c6cccc(-c7cccc8c7oc7ccccc78)c6)c5)cccc4c4ccc5ccccc5c43)nc3ccccc23)cc1
InChIInChI=1S/C54H33N3O/c1-2-15-35(16-3-1)50-47-23-6-8-28-48(47)55-54(56-50)57-51-40-21-5-4-14-34(40)30-31-45(51)44-26-12-24-41(52(44)57)38-19-10-17-36(32-38)37-18-11-20-39(33-37)42-25-13-27-46-43-22-7-9-29-49(43)58-53(42)46/h1-33H
InChIKeyIGWHMZQFHCTTNX-UHFFFAOYSA-N
MW739.88 g/mol
LogP14.45
Rot. Bonds5

About 10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole

10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole (PubChem CID 142568640) has the molecular formula C54H33N3O and a molecular weight of 739.88 g/mol. Its IUPAC name is 10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole.

Molecular Properties

Compound Name10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
PubChem CID142568640
Molecular FormulaC54H33N3O
Molecular Weight739.88 g/mol
Exact Mass739.26
IUPAC Name10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
SMILESc1ccc(-c2nc(-n3c4c(-c5cccc(-c6cccc(-c7cccc8c7oc7ccccc78)c6)c5)cccc4c4ccc5ccccc5c43)nc3ccccc23)cc1
InChIInChI=1S/C54H33N3O/c1-2-15-35(16-3-1)50-47-23-6-8-28-48(47)55-54(56-50)57-51-40-21-5-4-14-34(40)30-31-45(51)44-26-12-24-41(52(44)57)38-19-10-17-36(32-38)37-18-11-20-39(33-37)42-25-13-27-46-43-22-7-9-29-49(43)58-53(42)46/h1-33H
InChIKeyIGWHMZQFHCTTNX-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

10-(3-dibenzofuran-2-ylphenyl)-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142568833
4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane
CID 142569467
4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142570823
10-naphtho[2,1-b][1]benzofuran-9-yl-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole
CID 142570112
4-dibenzofuran-4-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 142570275
9-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149709
11-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-10-naphtho[2,1-b][1]benzofuran-9-ylbenzo[a]carbazole
CID 142569684
4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142568017
6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane
CID 142569321
12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 126580317
9-dibenzofuran-2-yl-19-(4-phenylquinazolin-2-yl)-19-azaheptacyclo[16.11.0.02,11.03,8.012,17.020,29.021,26]nonacosa-1(18),2(11),3,5,7,9,12,14,16,20(29),21,23,25,27-tetradecaene
CID 140913947
12-(4-naphtho[1,2-b][1]benzofuran-10-ylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 156564433

Frequently Asked Questions

What is the IUPAC name of 10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole?
The IUPAC name of 10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole (CID 142568640) is 10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole.
What is the SMILES notation for 10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole?
The canonical SMILES for 10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole is c1ccc(-c2nc(-n3c4c(-c5cccc(-c6cccc(-c7cccc8c7oc7ccccc78)c6)c5)cccc4c4ccc5ccccc5c43)nc3ccccc23)cc1.
What is the InChIKey of 10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole?
The InChIKey is IGWHMZQFHCTTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O/c1-2-15-35(16-3-1)50-47-23-6-8-28-48(47)55-54(56-50)57-51-40-21-5-4-14-34(40)30-31-45(51)44-26-12-24-41(52(44)57)38-19-10-17-36(32-38)37-18-11-20-39(33-37)42-25-13-27-46-43-22-7-9-29-49(43)58-53(42)46/h1-33H.
What are the key properties of 10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole?
10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole 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 10-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-11-(4-phenylquinazolin-2-yl)benzo[a]carbazole is sourced from PubChem (CID 142568640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).