3-(4-iodophenyl)phenanthridine

C19H12IN — CID 144968877

IUPAC3-(4-iodophenyl)phenanthridine
SMILESIc1ccc(-c2ccc3c(c2)ncc2ccccc23)cc1
InChIInChI=1S/C19H12IN/c20-16-8-5-13(6-9-16)14-7-10-18-17-4-2-1-3-15(17)12-21-19(18)11-14/h1-12H
InChIKeyDUKFHPIZDYRDHC-UHFFFAOYSA-N
MW381.22 g/mol
LogP5.66
Rot. Bonds1

About 3-(4-iodophenyl)phenanthridine

3-(4-iodophenyl)phenanthridine (PubChem CID 144968877) has the molecular formula C19H12IN and a molecular weight of 381.22 g/mol. Its IUPAC name is 3-(4-iodophenyl)phenanthridine.

Molecular Properties

Compound Name3-(4-iodophenyl)phenanthridine
PubChem CID144968877
Molecular FormulaC19H12IN
Molecular Weight381.22 g/mol
Exact Mass381.00
IUPAC Name3-(4-iodophenyl)phenanthridine
SMILESIc1ccc(-c2ccc3c(c2)ncc2ccccc23)cc1
InChIInChI=1S/C19H12IN/c20-16-8-5-13(6-9-16)14-7-10-18-17-4-2-1-3-15(17)12-21-19(18)11-14/h1-12H
InChIKeyDUKFHPIZDYRDHC-UHFFFAOYSA-N
XLogP5.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.22
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-phenylquinoxalin-2-yl)phenyl]phenanthridine
CID 155792785
3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
CID 155792486
3-[4-[4-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]phenyl]phenanthridine
CID 155792666
1-bromo-4-iodobenzene;bis(3-(4-bromophenyl)phenanthridine);3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenanthridine;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenanthridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158119687
3-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]phenanthridine
CID 155792621
phenanthridine
CID 9189
3-[3-(4-phenylquinazolin-2-yl)phenyl]phenanthridine
CID 155792573
3-(4-phenylquinazolin-2-yl)phenanthridine
CID 155792537
phenanthridine;platinum(2+)
CID 23616726
7-[4-(4-iodophenyl)phenyl]-3-[4-(4-methylphenyl)phenyl]quinoline
CID 170295713
2-phenanthridin-3-ylethynyl-tri(propan-2-yl)silane
CID 169268052
6-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline;7-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzo[h]quinoline;3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenanthridine
CID 158599286

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)phenanthridine?
The IUPAC name of 3-(4-iodophenyl)phenanthridine (CID 144968877) is 3-(4-iodophenyl)phenanthridine.
What is the SMILES notation for 3-(4-iodophenyl)phenanthridine?
The canonical SMILES for 3-(4-iodophenyl)phenanthridine is Ic1ccc(-c2ccc3c(c2)ncc2ccccc23)cc1.
What is the InChIKey of 3-(4-iodophenyl)phenanthridine?
The InChIKey is DUKFHPIZDYRDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12IN/c20-16-8-5-13(6-9-16)14-7-10-18-17-4-2-1-3-15(17)12-21-19(18)11-14/h1-12H.
What are the key properties of 3-(4-iodophenyl)phenanthridine?
3-(4-iodophenyl)phenanthridine has a molecular weight of 381.22 g/mol, XLogP of 5.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)phenanthridine is sourced from PubChem (CID 144968877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).