8-carbazol-9-yl-2,4-di(triphenylen-2-yl)-[1]benzofuro[3,2-d]pyrimidine

C58H33N3O — CID 134394241

IUPAC8-carbazol-9-yl-2,4-di(triphenylen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2c(c1)c1ccccc1c1cc(-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)c4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4n3)ccc21
InChIInChI=1S/C58H33N3O/c1-3-17-41-37(13-1)39-15-5-7-19-43(39)49-31-34(25-28-45(41)49)55-57-56(51-33-36(27-30-54(51)62-57)61-52-23-11-9-21-47(52)48-22-10-12-24-53(48)61)60-58(59-55)35-26-29-46-42-18-4-2-14-38(42)40-16-6-8-20-44(40)50(46)32-35/h1-33H
InChIKeyUVTABBPXPXKTAH-UHFFFAOYSA-N
MW787.92 g/mol
LogP15.73
Rot. Bonds3

About 8-carbazol-9-yl-2,4-di(triphenylen-2-yl)-[1]benzofuro[3,2-d]pyrimidine

8-carbazol-9-yl-2,4-di(triphenylen-2-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 134394241) has the molecular formula C58H33N3O and a molecular weight of 787.92 g/mol. Its IUPAC name is 8-carbazol-9-yl-2,4-di(triphenylen-2-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name8-carbazol-9-yl-2,4-di(triphenylen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID134394241
Molecular FormulaC58H33N3O
Molecular Weight787.92 g/mol
Exact Mass787.26
IUPAC Name8-carbazol-9-yl-2,4-di(triphenylen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2c(c1)c1ccccc1c1cc(-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)c4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4n3)ccc21
InChIInChI=1S/C58H33N3O/c1-3-17-41-37(13-1)39-15-5-7-19-43(39)49-31-34(25-28-45(41)49)55-57-56(51-33-36(27-30-54(51)62-57)61-52-23-11-9-21-47(52)48-22-10-12-24-53(48)61)60-58(59-55)35-26-29-46-42-18-4-2-14-38(42)40-16-6-8-20-44(40)50(46)32-35/h1-33H
InChIKeyUVTABBPXPXKTAH-UHFFFAOYSA-N
XLogP15.73
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.92
LogP ≤ 515.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-carbazol-9-yl-2,4-di(triphenylen-2-yl)-[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-(4-carbazol-9-ylphenyl)-2-phenyl-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 146606368
8-(8-carbazol-9-yldibenzofuran-1-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 148990639
2,8-di(carbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 134394265
4-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118232398
4,8-diphenyl-2-[8-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 167047673
14-(2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidin-8-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134393745
2-phenyl-8-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 142551150
7-(4-carbazol-9-ylphenyl)-2-phenyl-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 142550907
8-[2-(9-cyclohexa-1,3-dien-1-ylcarbazol-2-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 134394244
4-(3-phenylphenyl)-2-(4-phenylphenyl)-8-(3-triphenylen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 170397397
2-[9-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)carbazol-3-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 164569482
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 163455374

Frequently Asked Questions

What is the IUPAC name of 8-carbazol-9-yl-2,4-di(triphenylen-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 8-carbazol-9-yl-2,4-di(triphenylen-2-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 134394241) is 8-carbazol-9-yl-2,4-di(triphenylen-2-yl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 8-carbazol-9-yl-2,4-di(triphenylen-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 8-carbazol-9-yl-2,4-di(triphenylen-2-yl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc2c(c1)c1ccccc1c1cc(-c3nc(-c4ccc5c6ccccc6c6ccccc6c5c4)c4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4n3)ccc21.
What is the InChIKey of 8-carbazol-9-yl-2,4-di(triphenylen-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is UVTABBPXPXKTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H33N3O/c1-3-17-41-37(13-1)39-15-5-7-19-43(39)49-31-34(25-28-45(41)49)55-57-56(51-33-36(27-30-54(51)62-57)61-52-23-11-9-21-47(52)48-22-10-12-24-53(48)61)60-58(59-55)35-26-29-46-42-18-4-2-14-38(42)40-16-6-8-20-44(40)50(46)32-35/h1-33H.
What are the key properties of 8-carbazol-9-yl-2,4-di(triphenylen-2-yl)-[1]benzofuro[3,2-d]pyrimidine?
8-carbazol-9-yl-2,4-di(triphenylen-2-yl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 787.92 g/mol, XLogP of 15.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-carbazol-9-yl-2,4-di(triphenylen-2-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 134394241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).