3-dibenzofuran-4-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-quinazolin-2-ylbenzo[c]carbazole

C124H73N9O3 — CID 159101464

IUPAC3-dibenzofuran-4-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-quinazolin-2-ylbenzo[c]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5ccc(-c6cccc7c6oc6ccccc67)cc5ccc43)nc3ccccc23)cc1.c1ccc2cc(-c3nc(-n4c5ccccc5c5c6ccc(-c7cccc8c7oc7ccccc78)cc6ccc54)nc4ccccc34)ccc2c1.c1ccc2nc(-n3c4ccccc4c4c5ccc(-c6cccc7c6oc6ccccc67)cc5ccc43)ncc2c1
InChIInChI=1S/C46H27N3O.C42H25N3O.C36H21N3O/c1-2-11-29-26-32(21-20-28(29)10-1)44-37-13-3-6-17-39(37)47-46(48-44)49-40-18-7-4-14-38(40)43-33-24-22-31(27-30(33)23-25-41(43)49)34-15-9-16-36-35-12-5-8-19-42(35)50-45(34)36;1-2-11-26(12-3-1)40-33-14-4-7-18-35(33)43-42(44-40)45-36-19-8-5-15-34(36)39-29-23-21-28(25-27(29)22-24-37(39)45)30-16-10-17-32-31-13-6-9-20-38(31)46-41(30)32;1-4-13-30-24(8-1)21-37-36(38-30)39-31-14-5-2-10-29(31)34-25-18-16-23(20-22(25)17-19-32(34)39)26-11-7-12-28-27-9-3-6-15-33(27)40-35(26)28/h1-27H;1-25H;1-21H
InChIKeyKDIKTSMZZUUDSM-UHFFFAOYSA-N
MW1737.01 g/mol
LogP32.83
Rot. Bonds8

About 3-dibenzofuran-4-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-quinazolin-2-ylbenzo[c]carbazole

3-dibenzofuran-4-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-quinazolin-2-ylbenzo[c]carbazole (PubChem CID 159101464) has the molecular formula C124H73N9O3 and a molecular weight of 1737.01 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-quinazolin-2-ylbenzo[c]carbazole.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-quinazolin-2-ylbenzo[c]carbazole
PubChem CID159101464
Molecular FormulaC124H73N9O3
Molecular Weight1737.01 g/mol
Exact Mass1735.58
IUPAC Name3-dibenzofuran-4-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-quinazolin-2-ylbenzo[c]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5ccc(-c6cccc7c6oc6ccccc67)cc5ccc43)nc3ccccc23)cc1.c1ccc2cc(-c3nc(-n4c5ccccc5c5c6ccc(-c7cccc8c7oc7ccccc78)cc6ccc54)nc4ccccc34)ccc2c1.c1ccc2nc(-n3c4ccccc4c4c5ccc(-c6cccc7c6oc6ccccc67)cc5ccc43)ncc2c1
InChIInChI=1S/C46H27N3O.C42H25N3O.C36H21N3O/c1-2-11-29-26-32(21-20-28(29)10-1)44-37-13-3-6-17-39(37)47-46(48-44)49-40-18-7-4-14-38(40)43-33-24-22-31(27-30(33)23-25-41(43)49)34-15-9-16-36-35-12-5-8-19-42(35)50-45(34)36;1-2-11-26(12-3-1)40-33-14-4-7-18-35(33)43-42(44-40)45-36-19-8-5-15-34(36)39-29-23-21-28(25-27(29)22-24-37(39)45)30-16-10-17-32-31-13-6-9-20-38(31)46-41(30)32;1-4-13-30-24(8-1)21-37-36(38-30)39-31-14-5-2-10-29(31)34-25-18-16-23(20-22(25)17-19-32(34)39)26-11-7-12-28-27-9-3-6-15-33(27)40-35(26)28/h1-27H;1-25H;1-21H
InChIKeyKDIKTSMZZUUDSM-UHFFFAOYSA-N
XLogP32.83
TPSA131.55 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms136
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001737.01
LogP ≤ 532.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-dibenzofuran-4-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-quinazolin-2-ylbenzo[c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-quinazolin-2-ylbenzo[c]carbazole?
The IUPAC name of 3-dibenzofuran-4-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-quinazolin-2-ylbenzo[c]carbazole (CID 159101464) is 3-dibenzofuran-4-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-quinazolin-2-ylbenzo[c]carbazole.
What is the SMILES notation for 3-dibenzofuran-4-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-quinazolin-2-ylbenzo[c]carbazole?
The canonical SMILES for 3-dibenzofuran-4-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-quinazolin-2-ylbenzo[c]carbazole is c1ccc(-c2nc(-n3c4ccccc4c4c5ccc(-c6cccc7c6oc6ccccc67)cc5ccc43)nc3ccccc23)cc1.c1ccc2cc(-c3nc(-n4c5ccccc5c5c6ccc(-c7cccc8c7oc7ccccc78)cc6ccc54)nc4ccccc34)ccc2c1.c1ccc2nc(-n3c4ccccc4c4c5ccc(-c6cccc7c6oc6ccccc67)cc5ccc43)ncc2c1.
What is the InChIKey of 3-dibenzofuran-4-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-quinazolin-2-ylbenzo[c]carbazole?
The InChIKey is KDIKTSMZZUUDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3O.C42H25N3O.C36H21N3O/c1-2-11-29-26-32(21-20-28(29)10-1)44-37-13-3-6-17-39(37)47-46(48-44)49-40-18-7-4-14-38(40)43-33-24-22-31(27-30(33)23-25-41(43)49)34-15-9-16-36-35-12-5-8-19-42(35)50-45(34)36;1-2-11-26(12-3-1)40-33-14-4-7-18-35(33)43-42(44-40)45-36-19-8-5-15-34(36)39-29-23-21-28(25-27(29)22-24-37(39)45)30-16-10-17-32-31-13-6-9-20-38(31)46-41(30)32;1-4-13-30-24(8-1)21-37-36(38-30)39-31-14-5-2-10-29(31)34-25-18-16-23(20-22(25)17-19-32(34)39)26-11-7-12-28-27-9-3-6-15-33(27)40-35(26)28/h1-27H;1-25H;1-21H.
What are the key properties of 3-dibenzofuran-4-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-quinazolin-2-ylbenzo[c]carbazole?
3-dibenzofuran-4-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-quinazolin-2-ylbenzo[c]carbazole has a molecular weight of 1737.01 g/mol, XLogP of 32.83, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-quinazolin-2-ylbenzo[c]carbazole is sourced from PubChem (CID 159101464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).