3-[4-(8-iododibenzofuran-2-yl)phenyl]-9-phenylcarbazole

C36H22INO — CID 58536445

IUPAC3-[4-(8-iododibenzofuran-2-yl)phenyl]-9-phenylcarbazole
SMILESIc1ccc2oc3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3c2c1
InChIInChI=1S/C36H22INO/c37-27-16-19-36-32(22-27)31-21-26(15-18-35(31)39-36)24-12-10-23(11-13-24)25-14-17-34-30(20-25)29-8-4-5-9-33(29)38(34)28-6-2-1-3-7-28/h1-22H
InChIKeyXPRFSKNPOOFILY-UHFFFAOYSA-N
MW611.48 g/mol
LogP10.62
Rot. Bonds3

About 3-[4-(8-iododibenzofuran-2-yl)phenyl]-9-phenylcarbazole

3-[4-(8-iododibenzofuran-2-yl)phenyl]-9-phenylcarbazole (PubChem CID 58536445) has the molecular formula C36H22INO and a molecular weight of 611.48 g/mol. Its IUPAC name is 3-[4-(8-iododibenzofuran-2-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-(8-iododibenzofuran-2-yl)phenyl]-9-phenylcarbazole
PubChem CID58536445
Molecular FormulaC36H22INO
Molecular Weight611.48 g/mol
Exact Mass611.07
IUPAC Name3-[4-(8-iododibenzofuran-2-yl)phenyl]-9-phenylcarbazole
SMILESIc1ccc2oc3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3c2c1
InChIInChI=1S/C36H22INO/c37-27-16-19-36-32(22-27)31-21-26(15-18-35(31)39-36)24-12-10-23(11-13-24)25-14-17-34-30(20-25)29-8-4-5-9-33(29)38(34)28-6-2-1-3-7-28/h1-22H
InChIKeyXPRFSKNPOOFILY-UHFFFAOYSA-N
XLogP10.62
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.48
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-(8-iododibenzofuran-2-yl)phenyl]-9-phenylcarbazole 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

3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
9-[4-(8-phenyldibenzofuran-2-yl)phenyl]carbazole
CID 58536267
9-[4-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 118148524
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
2-(5,7-diphenylindolo[2,3-b]carbazol-2-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223413
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 118438947

Frequently Asked Questions

What is the IUPAC name of 3-[4-(8-iododibenzofuran-2-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[4-(8-iododibenzofuran-2-yl)phenyl]-9-phenylcarbazole (CID 58536445) is 3-[4-(8-iododibenzofuran-2-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-(8-iododibenzofuran-2-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-(8-iododibenzofuran-2-yl)phenyl]-9-phenylcarbazole is Ic1ccc2oc3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3c2c1.
What is the InChIKey of 3-[4-(8-iododibenzofuran-2-yl)phenyl]-9-phenylcarbazole?
The InChIKey is XPRFSKNPOOFILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22INO/c37-27-16-19-36-32(22-27)31-21-26(15-18-35(31)39-36)24-12-10-23(11-13-24)25-14-17-34-30(20-25)29-8-4-5-9-33(29)38(34)28-6-2-1-3-7-28/h1-22H.
What are the key properties of 3-[4-(8-iododibenzofuran-2-yl)phenyl]-9-phenylcarbazole?
3-[4-(8-iododibenzofuran-2-yl)phenyl]-9-phenylcarbazole has a molecular weight of 611.48 g/mol, XLogP of 10.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(8-iododibenzofuran-2-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 58536445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).