3,4,9,10-tetraiodo-1-phenylperylene

C26H12I4 — CID 155342047

IUPAC3,4,9,10-tetraiodo-1-phenylperylene
SMILESIc1ccc2c3ccc(I)c4c(I)cc(-c5ccccc5)c(c5ccc(I)c1c25)c43
InChIInChI=1S/C26H12I4/c27-18-9-6-14-15-7-10-20(29)26-21(30)12-17(13-4-2-1-3-5-13)23(24(15)26)16-8-11-19(28)25(18)22(14)16/h1-12H
InChIKeyCCZUSSNRWYVHPD-UHFFFAOYSA-N
MW832.00 g/mol
LogP9.82
Rot. Bonds1

About 3,4,9,10-tetraiodo-1-phenylperylene

3,4,9,10-tetraiodo-1-phenylperylene (PubChem CID 155342047) has the molecular formula C26H12I4 and a molecular weight of 832.00 g/mol. Its IUPAC name is 3,4,9,10-tetraiodo-1-phenylperylene.

Molecular Properties

Compound Name3,4,9,10-tetraiodo-1-phenylperylene
PubChem CID155342047
Molecular FormulaC26H12I4
Molecular Weight832.00 g/mol
Exact Mass831.71
IUPAC Name3,4,9,10-tetraiodo-1-phenylperylene
SMILESIc1ccc2c3ccc(I)c4c(I)cc(-c5ccccc5)c(c5ccc(I)c1c25)c43
InChIInChI=1S/C26H12I4/c27-18-9-6-14-15-7-10-20(29)26-21(30)12-17(13-4-2-1-3-5-13)23(24(15)26)16-8-11-19(28)25(18)22(14)16/h1-12H
InChIKeyCCZUSSNRWYVHPD-UHFFFAOYSA-N
XLogP9.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.00
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-(2,5-diphenylphenyl)-3,10-diiodo-1-phenylperylene
CID 164940190
10,12,23,32-tetraiodo-3,16-diphenylnonacyclo[22.6.2.02,7.08,29.011,28.014,27.015,20.021,26.025,30]dotriaconta-1(30),2(7),3,5,8,10,12,14(27),15(20),16,18,21,23,25,28,31-hexadecaene
CID 164940197
1-(2,5-diphenylphenyl)-3,9-diiodo-6-phenylperylene
CID 164940182
1,2,4-triphenyltriphenylene
CID 58820754
deuteride;1,3,6,8-tetraphenylpyrene
CID 159757384
1-(2,5-diphenylphenyl)-4,10-bis(2-iodophenyl)perylene
CID 155342068
1-phenyl-3,6,8-tris(4-phenylphenyl)pyrene
CID 59391253
2-[3,5-bis(1,4-diphenyltriphenylen-2-yl)phenyl]-1,4-diphenyltriphenylene
CID 123450993
benzene;1,2,3,4,5,6-hexakis-phenylbenzene;1,3,6,8-tetraphenylpyrene
CID 165101849
1-(4-fluorophenyl)-3,6,8-triphenylpyrene
CID 59391144
7,10,21,24-tetraphenyl-14,28-bis(3-phenylphenyl)nonacyclo[17.9.2.22,5.03,15.04,12.06,11.016,29.020,25.026,30]dotriaconta-1(28),2,4,6,8,10,12,14,16(29),17,19(30),20,22,24,26,31-hexadecaene
CID 58947117
7,10-dibromo-1,4-diphenyltriphenylene
CID 142691015

Frequently Asked Questions

What is the IUPAC name of 3,4,9,10-tetraiodo-1-phenylperylene?
The IUPAC name of 3,4,9,10-tetraiodo-1-phenylperylene (CID 155342047) is 3,4,9,10-tetraiodo-1-phenylperylene.
What is the SMILES notation for 3,4,9,10-tetraiodo-1-phenylperylene?
The canonical SMILES for 3,4,9,10-tetraiodo-1-phenylperylene is Ic1ccc2c3ccc(I)c4c(I)cc(-c5ccccc5)c(c5ccc(I)c1c25)c43.
What is the InChIKey of 3,4,9,10-tetraiodo-1-phenylperylene?
The InChIKey is CCZUSSNRWYVHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12I4/c27-18-9-6-14-15-7-10-20(29)26-21(30)12-17(13-4-2-1-3-5-13)23(24(15)26)16-8-11-19(28)25(18)22(14)16/h1-12H.
What are the key properties of 3,4,9,10-tetraiodo-1-phenylperylene?
3,4,9,10-tetraiodo-1-phenylperylene has a molecular weight of 832.00 g/mol, XLogP of 9.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,9,10-tetraiodo-1-phenylperylene is sourced from PubChem (CID 155342047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).