3,10-dibromo-7-(2,5-diphenylphenyl)-1-phenylperylene

C44H26Br2 — CID 155342358

IUPAC3,10-dibromo-7-(2,5-diphenylphenyl)-1-phenylperylene
SMILESBrc1cc(-c2ccccc2)c2c3ccc(Br)c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)c(c5cccc1c52)c43
InChIInChI=1S/C44H26Br2/c45-39-24-23-36-43-34(39)22-21-32(38-25-30(27-11-4-1-5-12-27)19-20-31(38)28-13-6-2-7-14-28)41(43)35-18-10-17-33-40(46)26-37(44(36)42(33)35)29-15-8-3-9-16-29/h1-26H
InChIKeyRBBSHAKNALQNHL-UHFFFAOYSA-N
MW714.50 g/mol
LogP13.93
Rot. Bonds4

About 3,10-dibromo-7-(2,5-diphenylphenyl)-1-phenylperylene

3,10-dibromo-7-(2,5-diphenylphenyl)-1-phenylperylene (PubChem CID 155342358) has the molecular formula C44H26Br2 and a molecular weight of 714.50 g/mol. Its IUPAC name is 3,10-dibromo-7-(2,5-diphenylphenyl)-1-phenylperylene.

Molecular Properties

Compound Name3,10-dibromo-7-(2,5-diphenylphenyl)-1-phenylperylene
PubChem CID155342358
Molecular FormulaC44H26Br2
Molecular Weight714.50 g/mol
Exact Mass712.04
IUPAC Name3,10-dibromo-7-(2,5-diphenylphenyl)-1-phenylperylene
SMILESBrc1cc(-c2ccccc2)c2c3ccc(Br)c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)c(c5cccc1c52)c43
InChIInChI=1S/C44H26Br2/c45-39-24-23-36-43-34(39)22-21-32(38-25-30(27-11-4-1-5-12-27)19-20-31(38)28-13-6-2-7-14-28)41(43)35-18-10-17-33-40(46)26-37(44(36)42(33)35)29-15-8-3-9-16-29/h1-26H
InChIKeyRBBSHAKNALQNHL-UHFFFAOYSA-N
XLogP13.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.50
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,10-dibromo-6-(2,5-diphenylphenyl)-1-phenylperylene
CID 164940170
3,10-dibromo-1,7-bis(2-phenylphenyl)perylene
CID 155342209
6-(2,5-diphenylphenyl)-3,10-diiodo-1-phenylperylene
CID 164940190
1-(2,5-diphenylphenyl)-4,10-bis(2-iodophenyl)perylene
CID 155342068
23-bromo-5,12-diphenylnonacyclo[17.12.2.120,24.02,15.04,13.06,11.016,32.029,33.028,34]tetratriaconta-1(32),2,4,6,8,10,12,14,16,18,20,22,24,26,28(34),29(33),30-heptadecaene
CID 89417310
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-(2,5-diphenylphenyl)-3,9-diiodo-6-phenylperylene
CID 164940182
3-bromo-1,6-diphenylpyrene
CID 86668275
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
1,2,4-triphenylbenzene
CID 518325
1,6-bis(2,5-diphenylphenyl)-3-(4-phenylphenyl)pyrene
CID 140589968
3-bromo-7-[2-(4-phenylphenyl)phenyl]benzo[b]phenalen-7-ol
CID 164732050

Frequently Asked Questions

What is the IUPAC name of 3,10-dibromo-7-(2,5-diphenylphenyl)-1-phenylperylene?
The IUPAC name of 3,10-dibromo-7-(2,5-diphenylphenyl)-1-phenylperylene (CID 155342358) is 3,10-dibromo-7-(2,5-diphenylphenyl)-1-phenylperylene.
What is the SMILES notation for 3,10-dibromo-7-(2,5-diphenylphenyl)-1-phenylperylene?
The canonical SMILES for 3,10-dibromo-7-(2,5-diphenylphenyl)-1-phenylperylene is Brc1cc(-c2ccccc2)c2c3ccc(Br)c4ccc(-c5cc(-c6ccccc6)ccc5-c5ccccc5)c(c5cccc1c52)c43.
What is the InChIKey of 3,10-dibromo-7-(2,5-diphenylphenyl)-1-phenylperylene?
The InChIKey is RBBSHAKNALQNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26Br2/c45-39-24-23-36-43-34(39)22-21-32(38-25-30(27-11-4-1-5-12-27)19-20-31(38)28-13-6-2-7-14-28)41(43)35-18-10-17-33-40(46)26-37(44(36)42(33)35)29-15-8-3-9-16-29/h1-26H.
What are the key properties of 3,10-dibromo-7-(2,5-diphenylphenyl)-1-phenylperylene?
3,10-dibromo-7-(2,5-diphenylphenyl)-1-phenylperylene has a molecular weight of 714.50 g/mol, XLogP of 13.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dibromo-7-(2,5-diphenylphenyl)-1-phenylperylene is sourced from PubChem (CID 155342358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).