7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole

C40H23N3O2 — CID 130333597

IUPAC7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c3)nc3oc4ccccc4c23)cc1
InChIInChI=1S/C40H23N3O2/c1-2-11-24(12-3-1)38-37-29-17-6-9-20-35(29)45-40(37)42-39(41-38)25-13-10-14-26(21-25)43-32-18-7-4-15-27(32)30-22-31-28-16-5-8-19-34(28)44-36(31)23-33(30)43/h1-23H
InChIKeyASQYUOUFWVJEPU-UHFFFAOYSA-N
MW577.64 g/mol
LogP10.71
Rot. Bonds3

About 7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole

7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 130333597) has the molecular formula C40H23N3O2 and a molecular weight of 577.64 g/mol. Its IUPAC name is 7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
PubChem CID130333597
Molecular FormulaC40H23N3O2
Molecular Weight577.64 g/mol
Exact Mass577.18
IUPAC Name7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c3)nc3oc4ccccc4c23)cc1
InChIInChI=1S/C40H23N3O2/c1-2-11-24(12-3-1)38-37-29-17-6-9-20-35(29)45-40(37)42-39(41-38)25-13-10-14-26(21-25)43-32-18-7-4-15-27(32)30-22-31-28-16-5-8-19-34(28)44-36(31)23-33(30)43/h1-23H
InChIKeyASQYUOUFWVJEPU-UHFFFAOYSA-N
XLogP10.71
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.64
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

22-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-19-(9-phenylcarbazol-2-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 126621816
25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-11-oxa-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 140957385
7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 130334153
20-phenyl-16-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-3-oxa-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene
CID 126718537
11-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 126580313
12-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 130334102
7-(3-dibenzofuran-1-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 171612106
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(2-phenylcarbazol-9-yl)-[1]benzofuro[2,3-b]carbazole
CID 155006709
2-[3-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-[3-(6,9-diphenylcarbazol-4-yl)phenyl]phenyl]-2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 163495348
19-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenyl-11-oxa-15,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 140957360
2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 163733499
11-[4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 126630887

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole (CID 130333597) is 7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)oc4ccccc46)c3)nc3oc4ccccc4c23)cc1.
What is the InChIKey of 7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is ASQYUOUFWVJEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3O2/c1-2-11-24(12-3-1)38-37-29-17-6-9-20-35(29)45-40(37)42-39(41-38)25-13-10-14-26(21-25)43-32-18-7-4-15-27(32)30-22-31-28-16-5-8-19-34(28)44-36(31)23-33(30)43/h1-23H.
What are the key properties of 7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 577.64 g/mol, XLogP of 10.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 130333597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).