5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole

C42H25N3O — CID 139361734

IUPAC5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc3cc(-c4ccc5oc6ccccc6c5c4)ccc23)cc1
InChIInChI=1S/C42H25N3O/c1-2-10-26(11-3-1)41-33-20-18-30(29-19-21-40-35(23-29)32-15-7-9-17-39(32)46-40)24-36(33)43-42(44-41)45-37-16-8-6-14-31(37)34-22-27-12-4-5-13-28(27)25-38(34)45/h1-25H
InChIKeyALDGVNMRRKSZKF-UHFFFAOYSA-N
MW587.68 g/mol
LogP11.11
Rot. Bonds3

About 5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole

5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole (PubChem CID 139361734) has the molecular formula C42H25N3O and a molecular weight of 587.68 g/mol. Its IUPAC name is 5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole
PubChem CID139361734
Molecular FormulaC42H25N3O
Molecular Weight587.68 g/mol
Exact Mass587.20
IUPAC Name5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc3cc(-c4ccc5oc6ccccc6c5c4)ccc23)cc1
InChIInChI=1S/C42H25N3O/c1-2-10-26(11-3-1)41-33-20-18-30(29-19-21-40-35(23-29)32-15-7-9-17-39(32)46-40)24-36(33)43-42(44-41)45-37-16-8-6-14-31(37)34-22-27-12-4-5-13-28(27)25-38(34)45/h1-25H
InChIKeyALDGVNMRRKSZKF-UHFFFAOYSA-N
XLogP11.11
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.68
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-2-yl-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90129211
5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361644
5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361573
4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142568017
10-benzo[b]carbazol-5-yl-5-(4-dibenzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146375631
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
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
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
3-(4-dibenzofuran-2-ylphenyl)-9-(4-naphthalen-1-ylquinazolin-2-yl)carbazole
CID 118067224
12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166916089
5-(6-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)-3-(9,9-dimethylfluoren-4-yl)benzo[b]carbazole
CID 146540586
3-dibenzofuran-2-yl-9-[6-(3-dibenzofuran-2-ylcarbazol-9-yl)-4-[4-[4-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]quinazolin-2-yl]carbazole
CID 126632410

Frequently Asked Questions

What is the IUPAC name of 5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole?
The IUPAC name of 5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole (CID 139361734) is 5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole?
The canonical SMILES for 5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole is c1ccc(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc3cc(-c4ccc5oc6ccccc6c5c4)ccc23)cc1.
What is the InChIKey of 5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole?
The InChIKey is ALDGVNMRRKSZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3O/c1-2-10-26(11-3-1)41-33-20-18-30(29-19-21-40-35(23-29)32-15-7-9-17-39(32)46-40)24-36(33)43-42(44-41)45-37-16-8-6-14-31(37)34-22-27-12-4-5-13-28(27)25-38(34)45/h1-25H.
What are the key properties of 5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole?
5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole has a molecular weight of 587.68 g/mol, XLogP of 11.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 139361734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).