6-(2,5-diphenylphenyl)-3,10-diiodo-1-phenylperylene

C44H26I2 — CID 164940190

IUPAC6-(2,5-diphenylphenyl)-3,10-diiodo-1-phenylperylene
SMILESIc1ccc2c3c(-c4ccccc4)cc(I)c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)c(c5cccc1c25)c43
InChIInChI=1S/C44H26I2/c45-39-24-23-36-41-33(39)17-10-18-35(41)42-32(21-22-34-40(46)26-37(43(36)44(34)42)29-15-8-3-9-16-29)38-25-30(27-11-4-1-5-12-27)19-20-31(38)28-13-6-2-7-14-28/h1-26H
InChIKeyATEMMKIBVJDYNS-UHFFFAOYSA-N
MW808.50 g/mol
LogP13.61
Rot. Bonds4

About 6-(2,5-diphenylphenyl)-3,10-diiodo-1-phenylperylene

6-(2,5-diphenylphenyl)-3,10-diiodo-1-phenylperylene (PubChem CID 164940190) has the molecular formula C44H26I2 and a molecular weight of 808.50 g/mol. Its IUPAC name is 6-(2,5-diphenylphenyl)-3,10-diiodo-1-phenylperylene.

Molecular Properties

Compound Name6-(2,5-diphenylphenyl)-3,10-diiodo-1-phenylperylene
PubChem CID164940190
Molecular FormulaC44H26I2
Molecular Weight808.50 g/mol
Exact Mass808.01
IUPAC Name6-(2,5-diphenylphenyl)-3,10-diiodo-1-phenylperylene
SMILESIc1ccc2c3c(-c4ccccc4)cc(I)c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)c(c5cccc1c25)c43
InChIInChI=1S/C44H26I2/c45-39-24-23-36-41-33(39)17-10-18-35(41)42-32(21-22-34-40(46)26-37(43(36)44(34)42)29-15-8-3-9-16-29)38-25-30(27-11-4-1-5-12-27)19-20-31(38)28-13-6-2-7-14-28/h1-26H
InChIKeyATEMMKIBVJDYNS-UHFFFAOYSA-N
XLogP13.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.50
LogP ≤ 513.61
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

1-(2,5-diphenylphenyl)-3,9-diiodo-6-phenylperylene
CID 164940182
1-(2,5-diphenylphenyl)-4,10-bis(2-iodophenyl)perylene
CID 155342068
3,10-dibromo-6-(2,5-diphenylphenyl)-1-phenylperylene
CID 164940170
3,10-dibromo-7-(2,5-diphenylphenyl)-1-phenylperylene
CID 155342358
3,4,9,10-tetraiodo-1-phenylperylene
CID 155342047
7,17,27-tris(4-phenylphenyl)heptacyclo[20.8.0.02,11.03,8.012,21.013,18.023,28]triaconta-1,3(8),4,6,9,11,13(18),14,16,19,21,23(28),24,26,29-pentadecaene
CID 139812806
1,2,4-triphenylbenzene
CID 518325
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
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
9-(3,4-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706349
10,21-dibromo-3,6-diphenyl-4-[5-phenyl-2-(4-phenylphenyl)phenyl]hexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene
CID 155342201
1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene
CID 143438062

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-diphenylphenyl)-3,10-diiodo-1-phenylperylene?
The IUPAC name of 6-(2,5-diphenylphenyl)-3,10-diiodo-1-phenylperylene (CID 164940190) is 6-(2,5-diphenylphenyl)-3,10-diiodo-1-phenylperylene.
What is the SMILES notation for 6-(2,5-diphenylphenyl)-3,10-diiodo-1-phenylperylene?
The canonical SMILES for 6-(2,5-diphenylphenyl)-3,10-diiodo-1-phenylperylene is Ic1ccc2c3c(-c4ccccc4)cc(I)c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)c(c5cccc1c25)c43.
What is the InChIKey of 6-(2,5-diphenylphenyl)-3,10-diiodo-1-phenylperylene?
The InChIKey is ATEMMKIBVJDYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26I2/c45-39-24-23-36-41-33(39)17-10-18-35(41)42-32(21-22-34-40(46)26-37(43(36)44(34)42)29-15-8-3-9-16-29)38-25-30(27-11-4-1-5-12-27)19-20-31(38)28-13-6-2-7-14-28/h1-26H.
What are the key properties of 6-(2,5-diphenylphenyl)-3,10-diiodo-1-phenylperylene?
6-(2,5-diphenylphenyl)-3,10-diiodo-1-phenylperylene has a molecular weight of 808.50 g/mol, XLogP of 13.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-diphenylphenyl)-3,10-diiodo-1-phenylperylene is sourced from PubChem (CID 164940190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).