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

C44H25N3O2 — CID 71291233

IUPAC12-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc2c(-c3cccc4c3oc3ccccc34)nc(-c3ccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)cc3)nc2c1
InChIInChI=1S/C44H25N3O2/c1-5-16-35-32(12-1)41(34-15-9-14-31-29-11-3-7-18-37(29)49-43(31)34)46-44(45-35)26-20-22-27(23-21-26)47-36-17-6-2-10-28(36)30-24-25-39-40(42(30)47)33-13-4-8-19-38(33)48-39/h1-25H
InChIKeyYCTZSMOFNQEVBH-UHFFFAOYSA-N
MW627.70 g/mol
LogP11.86
Rot. Bonds3

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

12-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole (PubChem CID 71291233) has the molecular formula C44H25N3O2 and a molecular weight of 627.70 g/mol. Its IUPAC name is 12-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
PubChem CID71291233
Molecular FormulaC44H25N3O2
Molecular Weight627.70 g/mol
Exact Mass627.19
IUPAC Name12-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
SMILESc1ccc2c(-c3cccc4c3oc3ccccc34)nc(-c3ccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)cc3)nc2c1
InChIInChI=1S/C44H25N3O2/c1-5-16-35-32(12-1)41(34-15-9-14-31-29-11-3-7-18-37(29)49-43(31)34)46-44(45-35)26-20-22-27(23-21-26)47-36-17-6-2-10-28(36)30-24-25-39-40(42(30)47)33-13-4-8-19-38(33)48-39/h1-25H
InChIKeyYCTZSMOFNQEVBH-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-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 130334385
7-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-5-phenylbenzo[c]carbazole
CID 71109044
4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163746946
15-naphthalen-1-yl-24-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;24-naphthalen-1-yl-15-(4-phenylphenyl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;15-naphthalen-1-yl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 159901266
12-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 126680132
4-(3-phenylphenyl)-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126679379
15-naphthalen-1-yl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126679280
15-(4-phenylphenyl)-24-[4-(4-phenylquinazolin-2-yl)phenyl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 140957550
1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane
CID 142567985
4-phenyl-15-[3-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
CID 126678197
9-(3-dibenzofuran-4-ylquinoxalin-2-yl)-15-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[3-(4-phenylphenyl)quinoxalin-2-yl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;9-phenyl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 160888626
26-naphthalen-1-yl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 126677772

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole (CID 71291233) is 12-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole is c1ccc2c(-c3cccc4c3oc3ccccc34)nc(-c3ccc(-n4c5ccccc5c5ccc6oc7ccccc7c6c54)cc3)nc2c1.
What is the InChIKey of 12-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
The InChIKey is YCTZSMOFNQEVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N3O2/c1-5-16-35-32(12-1)41(34-15-9-14-31-29-11-3-7-18-37(29)49-43(31)34)46-44(45-35)26-20-22-27(23-21-26)47-36-17-6-2-10-28(36)30-24-25-39-40(42(30)47)33-13-4-8-19-38(33)48-39/h1-25H.
What are the key properties of 12-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole?
12-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-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 12-[4-(4-dibenzofuran-4-ylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 71291233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).