5-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole

C44H25N3O2 — CID 134252440

IUPAC5-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c(-c5cccc6c5oc5ccccc56)cc5c6ccccc6oc5c43)nc3ccccc23)cc1
InChIInChI=1S/C44H25N3O2/c1-2-13-26(14-3-1)40-31-17-4-8-21-35(31)45-44(46-40)47-36-22-9-5-18-32(36)39-33(25-34-28-16-7-11-24-38(28)49-43(34)41(39)47)30-20-12-19-29-27-15-6-10-23-37(27)48-42(29)30/h1-25H
InChIKeyIXWXBJPVKNTLBH-UHFFFAOYSA-N
MW627.70 g/mol
LogP11.86
Rot. Bonds3

About 5-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole

5-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 134252440) has the molecular formula C44H25N3O2 and a molecular weight of 627.70 g/mol. Its IUPAC name is 5-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name5-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
PubChem CID134252440
Molecular FormulaC44H25N3O2
Molecular Weight627.70 g/mol
Exact Mass627.19
IUPAC Name5-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c(-c5cccc6c5oc5ccccc56)cc5c6ccccc6oc5c43)nc3ccccc23)cc1
InChIInChI=1S/C44H25N3O2/c1-2-13-26(14-3-1)40-31-17-4-8-21-35(31)45-44(46-40)47-36-22-9-5-18-32(36)39-33(25-34-28-16-7-11-24-38(28)49-43(34)41(39)47)30-20-12-19-29-27-15-6-10-23-37(27)48-42(29)30/h1-25H
InChIKeyIXWXBJPVKNTLBH-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

12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 126580317
4-dibenzofuran-4-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 142570823
5-[3-(9-phenylcarbazol-3-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-[4-(9-phenylcarbazol-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-[4-(9-phenylcarbazol-3-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;6-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 159057836
12-[4-(3-phenylphenyl)quinazolin-2-yl]-9-oxa-12-azaoctacyclo[18.12.0.02,10.03,8.011,19.013,18.021,26.027,32]dotriaconta-1(20),2(10),3,5,7,11(19),13,15,17,21,23,25,27,29,31-pentadecaene
CID 134359241
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
15-phenyl-18-(4-phenylquinazolin-2-yl)-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 126679145
4-(3-dibenzofuran-4-ylphenyl)-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole;propane
CID 142569467
5-dibenzofuran-2-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 134252535
5-(6-dibenzofuran-4-yl-4,7-diphenylquinazolin-2-yl)benzo[b]carbazole
CID 139361732
3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole
CID 130327449
18,18-dimethyl-9-(4-phenylquinazolin-2-yl)-21-oxa-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635233

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 5-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole (CID 134252440) is 5-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 5-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 5-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2nc(-n3c4ccccc4c4c(-c5cccc6c5oc5ccccc56)cc5c6ccccc6oc5c43)nc3ccccc23)cc1.
What is the InChIKey of 5-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is IXWXBJPVKNTLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N3O2/c1-2-13-26(14-3-1)40-31-17-4-8-21-35(31)45-44(46-40)47-36-22-9-5-18-32(36)39-33(25-34-28-16-7-11-24-38(28)49-43(34)41(39)47)30-20-12-19-29-27-15-6-10-23-37(27)48-42(29)30/h1-25H.
What are the key properties of 5-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole?
5-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]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 5-dibenzofuran-4-yl-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 134252440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).