4-[2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine

C34H21N3O — CID 155102001

IUPAC4-[2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2ncnc3c2oc2ccccc23)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C34H21N3O/c1-2-15-26(32-34-33(36-21-35-32)27-16-6-10-20-31(27)38-34)22(11-1)23-12-3-7-17-28(23)37-29-18-8-4-13-24(29)25-14-5-9-19-30(25)37/h1-21H
InChIKeyBJZGTVGUPBHIQU-UHFFFAOYSA-N
MW487.56 g/mol
LogP8.81
Rot. Bonds3

About 4-[2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine

4-[2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 155102001) has the molecular formula C34H21N3O and a molecular weight of 487.56 g/mol. Its IUPAC name is 4-[2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID155102001
Molecular FormulaC34H21N3O
Molecular Weight487.56 g/mol
Exact Mass487.17
IUPAC Name4-[2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2ncnc3c2oc2ccccc23)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C34H21N3O/c1-2-15-26(32-34-33(36-21-35-32)27-16-6-10-20-31(27)38-34)22(11-1)23-12-3-7-17-28(23)37-29-18-8-4-13-24(29)25-14-5-9-19-30(25)37/h1-21H
InChIKeyBJZGTVGUPBHIQU-UHFFFAOYSA-N
XLogP8.81
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(2-carbazol-9-ylphenyl)phenyl]-8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 155101896
4-[2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine;4-[2-(3-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine;4-[2-(4-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 160763553
4-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 126550768
4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 157231621
2-(1,28-diazaoctacyclo[16.13.1.02,7.08,13.014,32.019,31.021,29.022,27]dotriaconta-2,4,6,8,10,12,14,16,18(32),19(31),20,22,24,26,29-pentadecaen-28-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 167185289
4-(2-carbazol-9-ylphenyl)-2-(3,6-diphenylcarbazol-9-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 177271581
4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-7-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 168826473
4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-8-[3-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 168826475
8-carbazol-9-yl-4-[3-[5-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 135163806
4-methyl-[1]benzofuro[3,2-d]pyrimidine;4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 145257771
4-phenyl-2-[2-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 130333967
4-[3-(3-carbazol-9-ylphenyl)phenyl]-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 156578602

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine (CID 155102001) is 4-[2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2ncnc3c2oc2ccccc23)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 4-[2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is BJZGTVGUPBHIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3O/c1-2-15-26(32-34-33(36-21-35-32)27-16-6-10-20-31(27)38-34)22(11-1)23-12-3-7-17-28(23)37-29-18-8-4-13-24(29)25-14-5-9-19-30(25)37/h1-21H.
What are the key properties of 4-[2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
4-[2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 487.56 g/mol, XLogP of 8.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 155102001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).