1-(2,5-diphenylphenyl)-4,10-bis(2-iodophenyl)perylene

C50H30I2 — CID 155342068

IUPAC1-(2,5-diphenylphenyl)-4,10-bis(2-iodophenyl)perylene
SMILESIc1ccccc1-c1ccc2c3c(-c4cc(-c5ccccc5)ccc4-c4ccccc4)ccc4c(-c5ccccc5I)ccc(c5cccc1c52)c43
InChIInChI=1S/C50H30I2/c51-46-20-9-7-16-37(46)35-25-29-44-48-39(35)18-11-19-40(48)42-26-24-36(38-17-8-10-21-47(38)52)41-27-28-43(50(44)49(41)42)45-30-33(31-12-3-1-4-13-31)22-23-34(45)32-14-5-2-6-15-32/h1-30H
InChIKeyKKYXXOIVMRFPDK-UHFFFAOYSA-N
MW884.60 g/mol
LogP15.28
Rot. Bonds5

About 1-(2,5-diphenylphenyl)-4,10-bis(2-iodophenyl)perylene

1-(2,5-diphenylphenyl)-4,10-bis(2-iodophenyl)perylene (PubChem CID 155342068) has the molecular formula C50H30I2 and a molecular weight of 884.60 g/mol. Its IUPAC name is 1-(2,5-diphenylphenyl)-4,10-bis(2-iodophenyl)perylene.

Molecular Properties

Compound Name1-(2,5-diphenylphenyl)-4,10-bis(2-iodophenyl)perylene
PubChem CID155342068
Molecular FormulaC50H30I2
Molecular Weight884.60 g/mol
Exact Mass884.04
IUPAC Name1-(2,5-diphenylphenyl)-4,10-bis(2-iodophenyl)perylene
SMILESIc1ccccc1-c1ccc2c3c(-c4cc(-c5ccccc5)ccc4-c4ccccc4)ccc4c(-c5ccccc5I)ccc(c5cccc1c52)c43
InChIInChI=1S/C50H30I2/c51-46-20-9-7-16-37(46)35-25-29-44-48-39(35)18-11-19-40(48)42-26-24-36(38-17-8-10-21-47(38)52)41-27-28-43(50(44)49(41)42)45-30-33(31-12-3-1-4-13-31)22-23-34(45)32-14-5-2-6-15-32/h1-30H
InChIKeyKKYXXOIVMRFPDK-UHFFFAOYSA-N
XLogP15.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.60
LogP ≤ 515.28
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
1-(2,5-diphenylphenyl)-3,9-diiodo-6-phenylperylene
CID 164940182
3,10-dibromo-7-(2,5-diphenylphenyl)-1-phenylperylene
CID 155342358
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
8-[4-(2,4-diphenylphenyl)naphthalen-1-yl]-19-(2-phenylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene;8-[4-(2,6-diphenylphenyl)naphthalen-1-yl]-19-(2-phenylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene;8-[4-(3,5-diphenylphenyl)naphthalen-1-yl]-19-(2-phenylphenyl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene;19-(2-phenylphenyl)-8-[4-(4-phenylphenyl)naphthalen-1-yl]hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene
CID 158208151
3,10-dibromo-6-(2,5-diphenylphenyl)-1-phenylperylene
CID 164940170
1,6-bis(2,5-diphenylphenyl)-3-(4-phenylphenyl)pyrene
CID 140589968
8-(3,5-diphenylphenyl)-19-phenylhexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14(24),15,17,19,21-dodecaene
CID 59642845
3-(2-phenylphenyl)perylene
CID 174610298
9,27-diphenyl-14,34-bis(2-phenylphenyl)undecacyclo[18.16.1.12,15.14,8.122,26.03,13.021,31.033,37.012,40.019,39.030,38]tetraconta-1(37),2,4,6,8,10,12(40),13,15,17,19(39),20,22,24,26,28,30(38),31,33,35-icosaene
CID 59342642
1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene
CID 59391228
10-phenyl-3,19-bis(3-phenylphenyl)tetradecacyclo[22.21.2.225,28.17,11.02,20.04,18.06,16.021,46.026,42.027,39.029,38.031,36.043,47.015,50]pentaconta-1(45),2,4(18),5,7(50),8,10,12,14,16,19,21(46),22,24(47),25,27,29,31,33,35,37,39,41,43,48-pentacosaene
CID 153474279

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diphenylphenyl)-4,10-bis(2-iodophenyl)perylene?
The IUPAC name of 1-(2,5-diphenylphenyl)-4,10-bis(2-iodophenyl)perylene (CID 155342068) is 1-(2,5-diphenylphenyl)-4,10-bis(2-iodophenyl)perylene.
What is the SMILES notation for 1-(2,5-diphenylphenyl)-4,10-bis(2-iodophenyl)perylene?
The canonical SMILES for 1-(2,5-diphenylphenyl)-4,10-bis(2-iodophenyl)perylene is Ic1ccccc1-c1ccc2c3c(-c4cc(-c5ccccc5)ccc4-c4ccccc4)ccc4c(-c5ccccc5I)ccc(c5cccc1c52)c43.
What is the InChIKey of 1-(2,5-diphenylphenyl)-4,10-bis(2-iodophenyl)perylene?
The InChIKey is KKYXXOIVMRFPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30I2/c51-46-20-9-7-16-37(46)35-25-29-44-48-39(35)18-11-19-40(48)42-26-24-36(38-17-8-10-21-47(38)52)41-27-28-43(50(44)49(41)42)45-30-33(31-12-3-1-4-13-31)22-23-34(45)32-14-5-2-6-15-32/h1-30H.
What are the key properties of 1-(2,5-diphenylphenyl)-4,10-bis(2-iodophenyl)perylene?
1-(2,5-diphenylphenyl)-4,10-bis(2-iodophenyl)perylene has a molecular weight of 884.60 g/mol, XLogP of 15.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diphenylphenyl)-4,10-bis(2-iodophenyl)perylene is sourced from PubChem (CID 155342068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).