3,10-dibromo-1,7-bis(2-phenylphenyl)perylene

C44H26Br2 — CID 155342209

IUPAC3,10-dibromo-1,7-bis(2-phenylphenyl)perylene
SMILESBrc1ccc2c3c(-c4ccccc4-c4ccccc4)cc(Br)c4cccc(c5c(-c6ccccc6-c6ccccc6)ccc1c25)c43
InChIInChI=1S/C44H26Br2/c45-39-25-24-37-43-35(39)23-22-33(31-18-9-7-16-29(31)27-12-3-1-4-13-27)41(43)36-21-11-20-34-40(46)26-38(44(37)42(34)36)32-19-10-8-17-30(32)28-14-5-2-6-15-28/h1-26H
InChIKeyRFNQCDLCVZEBEX-UHFFFAOYSA-N
MW714.50 g/mol
LogP13.93
Rot. Bonds4

About 3,10-dibromo-1,7-bis(2-phenylphenyl)perylene

3,10-dibromo-1,7-bis(2-phenylphenyl)perylene (PubChem CID 155342209) has the molecular formula C44H26Br2 and a molecular weight of 714.50 g/mol. Its IUPAC name is 3,10-dibromo-1,7-bis(2-phenylphenyl)perylene.

Molecular Properties

Compound Name3,10-dibromo-1,7-bis(2-phenylphenyl)perylene
PubChem CID155342209
Molecular FormulaC44H26Br2
Molecular Weight714.50 g/mol
Exact Mass712.04
IUPAC Name3,10-dibromo-1,7-bis(2-phenylphenyl)perylene
SMILESBrc1ccc2c3c(-c4ccccc4-c4ccccc4)cc(Br)c4cccc(c5c(-c6ccccc6-c6ccccc6)ccc1c25)c43
InChIInChI=1S/C44H26Br2/c45-39-25-24-37-43-35(39)23-22-33(31-18-9-7-16-29(31)27-12-3-1-4-13-27)41(43)36-21-11-20-34-40(46)26-38(44(37)42(34)36)32-19-10-8-17-30(32)28-14-5-2-6-15-28/h1-26H
InChIKeyRFNQCDLCVZEBEX-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'}

Analyze 3,10-dibromo-1,7-bis(2-phenylphenyl)perylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,10-dibromo-7-(2,5-diphenylphenyl)-1-phenylperylene
CID 155342358
3,10-dibromo-6-(2,5-diphenylphenyl)-1-phenylperylene
CID 164940170
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
3-bromo-1,6-diphenylpyrene
CID 86668275
1,6-bis(4-phenylnaphthalen-1-yl)-3,8-bis(2-phenylphenyl)pyrene
CID 59391228
3,19-bis(2-phenylphenyl)tridecacyclo[22.17.2.225,28.17,11.02,20.04,18.06,16.021,42.026,38.027,35.029,34.039,43.015,46]hexatetraconta-1(42),2,4(18),5,7,9,11(46),12,14,16,19,21,23,25(45),26(38),27(35),28(44),29,31,33,36,39(43),40-tricosaene
CID 140785297
3,9-dibromo-7,12-diphenylbenzo[k]fluoranthene
CID 71071926
4,5-dibromo-1-phenylnaphthalene
CID 155350544
2-bromo-1,5-diphenylnaphthalene
CID 151219603
3-bromo-7-[2-(4-phenylphenyl)phenyl]benzo[b]phenalen-7-ol
CID 164732050
4-bromo-1-chloro-5-phenylnaphthalene
CID 171751461
3-bromofluoranthene;8-bromofluoranthene
CID 174507222

Frequently Asked Questions

What is the IUPAC name of 3,10-dibromo-1,7-bis(2-phenylphenyl)perylene?
The IUPAC name of 3,10-dibromo-1,7-bis(2-phenylphenyl)perylene (CID 155342209) is 3,10-dibromo-1,7-bis(2-phenylphenyl)perylene.
What is the SMILES notation for 3,10-dibromo-1,7-bis(2-phenylphenyl)perylene?
The canonical SMILES for 3,10-dibromo-1,7-bis(2-phenylphenyl)perylene is Brc1ccc2c3c(-c4ccccc4-c4ccccc4)cc(Br)c4cccc(c5c(-c6ccccc6-c6ccccc6)ccc1c25)c43.
What is the InChIKey of 3,10-dibromo-1,7-bis(2-phenylphenyl)perylene?
The InChIKey is RFNQCDLCVZEBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26Br2/c45-39-25-24-37-43-35(39)23-22-33(31-18-9-7-16-29(31)27-12-3-1-4-13-27)41(43)36-21-11-20-34-40(46)26-38(44(37)42(34)36)32-19-10-8-17-30(32)28-14-5-2-6-15-28/h1-26H.
What are the key properties of 3,10-dibromo-1,7-bis(2-phenylphenyl)perylene?
3,10-dibromo-1,7-bis(2-phenylphenyl)perylene 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-1,7-bis(2-phenylphenyl)perylene is sourced from PubChem (CID 155342209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).