4-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine

C40H24N4O — CID 129291442

IUPAC4-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1cc(-c2cccc3c2oc2c(-n4c5ccccc5c5ccccc54)ncnc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C40H24N4O/c1-5-19-33-28(13-1)29-14-2-6-20-34(29)43(33)26-12-9-11-25(23-26)27-17-10-18-32-37-39(45-38(27)32)40(42-24-41-37)44-35-21-7-3-15-30(35)31-16-4-8-22-36(31)44/h1-24H
InChIKeySCTNNOLFQAHJAP-UHFFFAOYSA-N
MW576.66 g/mol
LogP10.24
Rot. Bonds3

About 4-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine

4-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 129291442) has the molecular formula C40H24N4O and a molecular weight of 576.66 g/mol. Its IUPAC name is 4-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID129291442
Molecular FormulaC40H24N4O
Molecular Weight576.66 g/mol
Exact Mass576.20
IUPAC Name4-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1cc(-c2cccc3c2oc2c(-n4c5ccccc5c5ccccc54)ncnc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C40H24N4O/c1-5-19-33-28(13-1)29-14-2-6-20-34(29)43(33)26-12-9-11-25(23-26)27-17-10-18-32-37-39(45-38(27)32)40(42-24-41-37)44-35-21-7-3-15-30(35)31-16-4-8-22-36(31)44/h1-24H
InChIKeySCTNNOLFQAHJAP-UHFFFAOYSA-N
XLogP10.24
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.66
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine
CID 122692968
4-[3-(3-carbazol-9-ylphenyl)phenyl]-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 156578602
4-[3-(3-carbazol-9-ylphenyl)phenyl]-8-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 162485295
2,4-diphenyl-6-[3-(3-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 146606209
9-[3-[8-[3-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]carbazole
CID 118438864
N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90125897
4-carbazol-9-yl-8-(3-dibenzothiophen-4-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 129291441
8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 135163792
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
9-[3-[3-[2-(3-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433877
8-carbazol-9-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-carbazol-9-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzofuran-4-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 161391565
8-carbazol-9-yl-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-carbazol-9-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 158582607

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine (CID 129291442) is 4-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine is c1cc(-c2cccc3c2oc2c(-n4c5ccccc5c5ccccc54)ncnc23)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 4-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is SCTNNOLFQAHJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O/c1-5-19-33-28(13-1)29-14-2-6-20-34(29)43(33)26-12-9-11-25(23-26)27-17-10-18-32-37-39(45-38(27)32)40(42-24-41-37)44-35-21-7-3-15-30(35)31-16-4-8-22-36(31)44/h1-24H.
What are the key properties of 4-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine?
4-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 576.66 g/mol, XLogP of 10.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 129291442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).