4-iodo-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine

C28H16IN3O — CID 134403705

IUPAC4-iodo-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine
SMILESIc1nc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)nc2oc3ccccc3c12
InChIInChI=1S/C28H16IN3O/c29-26-25-21-11-5-7-13-24(21)33-28(25)31-27(30-26)17-14-15-20-19-10-4-6-12-22(19)32(23(20)16-17)18-8-2-1-3-9-18/h1-16H
InChIKeyTYEISJHDNWNVEW-UHFFFAOYSA-N
MW537.36 g/mol
LogP7.74
Rot. Bonds2

About 4-iodo-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine

4-iodo-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 134403705) has the molecular formula C28H16IN3O and a molecular weight of 537.36 g/mol. Its IUPAC name is 4-iodo-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-iodo-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine
PubChem CID134403705
Molecular FormulaC28H16IN3O
Molecular Weight537.36 g/mol
Exact Mass537.03
IUPAC Name4-iodo-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine
SMILESIc1nc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)nc2oc3ccccc3c12
InChIInChI=1S/C28H16IN3O/c29-26-25-21-11-5-7-13-24(21)33-28(25)31-27(30-26)17-14-15-20-19-10-4-6-12-22(19)32(23(20)16-17)18-8-2-1-3-9-18/h1-16H
InChIKeyTYEISJHDNWNVEW-UHFFFAOYSA-N
XLogP7.74
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.36
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-iodo-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-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

2-tert-butyl-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 130258102
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
2-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 146367342
2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342798
2-(4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534501
2-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 154938682
2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 163454838
2-[4-dibenzofuran-1-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 171445377
4-phenyl-2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 130333492
12-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-a]carbazole
CID 164954211
4-(12,21-diazaoctacyclo[17.10.1.02,11.05,10.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaen-21-yl)-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 130258931
2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342775

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 4-iodo-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine (CID 134403705) is 4-iodo-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 4-iodo-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 4-iodo-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine is Ic1nc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)nc2oc3ccccc3c12.
What is the InChIKey of 4-iodo-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is TYEISJHDNWNVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16IN3O/c29-26-25-21-11-5-7-13-24(21)33-28(25)31-27(30-26)17-14-15-20-19-10-4-6-12-22(19)32(23(20)16-17)18-8-2-1-3-9-18/h1-16H.
What are the key properties of 4-iodo-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine?
4-iodo-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 537.36 g/mol, XLogP of 7.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 134403705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).