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

C52H32N4O — CID 177271531

IUPAC8-carbazol-9-yl-2-[2-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccccc2-c2ncc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3n2)c1
InChIInChI=1S/C52H32N4O/c1-2-22-43(52-53-32-50-51(54-52)44-31-37(27-28-49(44)57-50)56-47-25-9-5-20-41(47)42-21-6-10-26-48(42)56)38(17-1)35-15-11-13-33(29-35)34-14-12-16-36(30-34)55-45-23-7-3-18-39(45)40-19-4-8-24-46(40)55/h1-32H
InChIKeyYNHMHMNUCRGVKY-UHFFFAOYSA-N
MW728.86 g/mol
LogP13.57
Rot. Bonds5

About 8-carbazol-9-yl-2-[2-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

8-carbazol-9-yl-2-[2-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 177271531) has the molecular formula C52H32N4O and a molecular weight of 728.86 g/mol. Its IUPAC name is 8-carbazol-9-yl-2-[2-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name8-carbazol-9-yl-2-[2-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID177271531
Molecular FormulaC52H32N4O
Molecular Weight728.86 g/mol
Exact Mass728.26
IUPAC Name8-carbazol-9-yl-2-[2-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccccc2-c2ncc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3n2)c1
InChIInChI=1S/C52H32N4O/c1-2-22-43(52-53-32-50-51(54-52)44-31-37(27-28-49(44)57-50)56-47-25-9-5-20-41(47)42-21-6-10-26-48(42)56)38(17-1)35-15-11-13-33(29-35)34-14-12-16-36(30-34)55-45-23-7-3-18-39(45)40-19-4-8-24-46(40)55/h1-32H
InChIKeyYNHMHMNUCRGVKY-UHFFFAOYSA-N
XLogP13.57
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.86
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-carbazol-9-yl-2-[2-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-carbazol-9-yl-2-(1-carbazol-9-ylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 177271456
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole;9-[8-[3-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]phenyl]dibenzofuran-2-yl]carbazole
CID 158645763
3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 118505153
2-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 122693041
9-[3-[3-[3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 90265507
9-[3-[5-(8-carbazol-9-yldibenzofuran-2-yl)-3-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 89433885
6-carbazol-9-yl-1-(3-dibenzofuran-2-ylphenyl)-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 142568463
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912
3-[8-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole;3-[8-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 159222480
9-(8-phenyldibenzofuran-2-yl)-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080657
8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 122688012

Frequently Asked Questions

What is the IUPAC name of 8-carbazol-9-yl-2-[2-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 8-carbazol-9-yl-2-[2-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (CID 177271531) is 8-carbazol-9-yl-2-[2-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 8-carbazol-9-yl-2-[2-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 8-carbazol-9-yl-2-[2-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccccc2-c2ncc3oc4ccc(-n5c6ccccc6c6ccccc65)cc4c3n2)c1.
What is the InChIKey of 8-carbazol-9-yl-2-[2-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is YNHMHMNUCRGVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4O/c1-2-22-43(52-53-32-50-51(54-52)44-31-37(27-28-49(44)57-50)56-47-25-9-5-20-41(47)42-21-6-10-26-48(42)56)38(17-1)35-15-11-13-33(29-35)34-14-12-16-36(30-34)55-45-23-7-3-18-39(45)40-19-4-8-24-46(40)55/h1-32H.
What are the key properties of 8-carbazol-9-yl-2-[2-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
8-carbazol-9-yl-2-[2-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 728.86 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-carbazol-9-yl-2-[2-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 177271531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).