1,2-diiodotriphenylene

C18H10I2 — CID 88920263

IUPAC1,2-diiodotriphenylene
SMILESIc1ccc2c3ccccc3c3ccccc3c2c1I
InChIInChI=1S/C18H10I2/c19-16-10-9-15-13-7-2-1-5-11(13)12-6-3-4-8-14(12)17(15)18(16)20/h1-10H
InChIKeyCACCTVHBYFFPRR-UHFFFAOYSA-N
MW480.09 g/mol
LogP6.36
Rot. Bonds

About 1,2-diiodotriphenylene

1,2-diiodotriphenylene (PubChem CID 88920263) has the molecular formula C18H10I2 and a molecular weight of 480.09 g/mol. Its IUPAC name is 1,2-diiodotriphenylene.

Molecular Properties

Compound Name1,2-diiodotriphenylene
PubChem CID88920263
Molecular FormulaC18H10I2
Molecular Weight480.09 g/mol
Exact Mass479.89
IUPAC Name1,2-diiodotriphenylene
SMILESIc1ccc2c3ccccc3c3ccccc3c2c1I
InChIInChI=1S/C18H10I2/c19-16-10-9-15-13-7-2-1-5-11(13)12-6-3-4-8-14(12)17(15)18(16)20/h1-10H
InChIKeyCACCTVHBYFFPRR-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.09
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

1,2,3-triiodotriphenylene
CID 174837521
nonadecacyclo[38.18.2.02,55.05,54.06,11.012,53.015,52.016,49.019,48.020,25.026,47.029,46.030,43.033,42.034,39.041,58.044,57.045,50.051,56]hexaconta-1,3,5(54),6,8,10,12(53),13,15,17,19(48),20,22,24,26(47),27,29,31,33(42),34,36,38,40,43,45,49,51,55,57,59-triacontaene
CID 58800430
21-iodo-22-(21-iodo-22-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaenyl)pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 154721572
undecacyclo[30.6.2.02,7.08,37.09,14.015,36.018,35.019,24.025,34.026,31.033,38]tetraconta-1(38),2,4,6,8(37),9,11,13,15(36),16,18(35),19,21,23,25(34),26,28,30,32,39-icosaene
CID 21083049
nonadecacyclo[78.4.0.02,73.03,8.09,66.010,37.011,16.017,30.018,23.024,29.031,36.038,65.039,44.045,58.046,51.052,57.059,64.067,72.074,79]tetraoctaconta-1(84),2(73),3,5,7,9,11,13,15,17(30),18,20,22,24,26,28,31,33,35,37,39,41,43,45(58),46,48,50,52,54,56,59,61,63,65,67,69,71,74,76,78,80,82-dotetracontaene
CID 162412244
1,2,3,4-tetraiodobenzene
CID 12465
heptadecacyclo[36.16.0.02,7.06,15.08,37.09,14.010,35.011,28.012,25.013,18.019,24.029,34.033,42.036,41.039,52.040,45.046,51]tetrapentaconta-1,3,5,7,9,11(28),12(25),13(18),14,16,19,21,23,26,29,31,33(42),34,36(41),37,39(52),40(45),43,46,48,50,53-heptacosaene
CID 11814412
ethane;pentakis(hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene)
CID 162231469
nonacyclo[20.6.4.02,7.08,30.09,14.015,31.016,21.023,28.029,32]dotriaconta-1(29),2,4,6,8(30),9,11,13,15(31),16,18,20,22(32),23,25,27-hexadecaene
CID 102166669
1,2-dimethyltriphenylene;ethane
CID 145144770
hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene;methanethiol
CID 159766512
3,4-diiodonaphthalen-1-amine
CID 74892032

Frequently Asked Questions

What is the IUPAC name of 1,2-diiodotriphenylene?
The IUPAC name of 1,2-diiodotriphenylene (CID 88920263) is 1,2-diiodotriphenylene.
What is the SMILES notation for 1,2-diiodotriphenylene?
The canonical SMILES for 1,2-diiodotriphenylene is Ic1ccc2c3ccccc3c3ccccc3c2c1I.
What is the InChIKey of 1,2-diiodotriphenylene?
The InChIKey is CACCTVHBYFFPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10I2/c19-16-10-9-15-13-7-2-1-5-11(13)12-6-3-4-8-14(12)17(15)18(16)20/h1-10H.
What are the key properties of 1,2-diiodotriphenylene?
1,2-diiodotriphenylene has a molecular weight of 480.09 g/mol, XLogP of 6.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diiodotriphenylene is sourced from PubChem (CID 88920263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).