3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole

C44H25N3O2 — CID 130327449

IUPAC3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole
SMILESc1ccc2c(-c3cccc4oc5ccccc5c34)nc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)nc2c1
InChIInChI=1S/C44H25N3O2/c1-5-18-35-31(13-1)42(33-17-10-22-40-41(33)32-14-4-8-21-39(32)48-40)46-44(45-35)47-36-19-6-2-11-28(36)34-25-26(23-24-37(34)47)27-15-9-16-30-29-12-3-7-20-38(29)49-43(27)30/h1-25H
InChIKeyZPASRFPSWUARGM-UHFFFAOYSA-N
MW627.70 g/mol
LogP11.86
Rot. Bonds3

About 3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole

3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole (PubChem CID 130327449) has the molecular formula C44H25N3O2 and a molecular weight of 627.70 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole
PubChem CID130327449
Molecular FormulaC44H25N3O2
Molecular Weight627.70 g/mol
Exact Mass627.19
IUPAC Name3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole
SMILESc1ccc2c(-c3cccc4oc5ccccc5c34)nc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)nc2c1
InChIInChI=1S/C44H25N3O2/c1-5-18-35-31(13-1)42(33-17-10-22-40-41(33)32-14-4-8-21-39(32)48-40)46-44(45-35)47-36-19-6-2-11-28(36)34-25-26(23-24-37(34)47)27-15-9-16-30-29-12-3-7-20-38(29)49-43(27)30/h1-25H
InChIKeyZPASRFPSWUARGM-UHFFFAOYSA-N
XLogP11.86
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.70
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 123298725
3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole
CID 118067224
3-dibenzofuran-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 158611861
3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzofuran-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 165014115
3-[9-(4-naphtho[2,1-b][1]benzofuran-5-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 155485509
9-dibenzofuran-1-yl-3-dibenzofuran-4-ylcarbazole
CID 118504742
3-(2-dibenzofuran-1-yl-4-dibenzofuran-4-ylquinazolin-6-yl)-9-phenylcarbazole
CID 145159176
9-[4-[4-(7-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358295
6-[9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole
CID 138617947
9-carbazol-9-yl-5-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[b]carbazole
CID 146374848
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;3-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzofuran-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 164983818

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole?
The IUPAC name of 3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole (CID 130327449) is 3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole is c1ccc2c(-c3cccc4oc5ccccc5c34)nc(-n3c4ccccc4c4cc(-c5cccc6c5oc5ccccc56)ccc43)nc2c1.
What is the InChIKey of 3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole?
The InChIKey is ZPASRFPSWUARGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N3O2/c1-5-18-35-31(13-1)42(33-17-10-22-40-41(33)32-14-4-8-21-39(32)48-40)46-44(45-35)47-36-19-6-2-11-28(36)34-25-26(23-24-37(34)47)27-15-9-16-30-29-12-3-7-20-38(29)49-43(27)30/h1-25H.
What are the key properties of 3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole?
3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole has a molecular weight of 627.70 g/mol, XLogP of 11.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole is sourced from PubChem (CID 130327449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).