1,4,5,8-tetrabromo-2,6-diphenylnaphthalene

C22H12Br4 — CID 155342029

IUPAC1,4,5,8-tetrabromo-2,6-diphenylnaphthalene
SMILESBrc1cc(-c2ccccc2)c(Br)c2c(Br)cc(-c3ccccc3)c(Br)c12
InChIInChI=1S/C22H12Br4/c23-17-11-15(13-7-3-1-4-8-13)21(25)19-18(24)12-16(22(26)20(17)19)14-9-5-2-6-10-14/h1-12H
InChIKeyCAVCAKXXOVFNSC-UHFFFAOYSA-N
MW595.95 g/mol
LogP9.22
Rot. Bonds2

About 1,4,5,8-tetrabromo-2,6-diphenylnaphthalene

1,4,5,8-tetrabromo-2,6-diphenylnaphthalene (PubChem CID 155342029) has the molecular formula C22H12Br4 and a molecular weight of 595.95 g/mol. Its IUPAC name is 1,4,5,8-tetrabromo-2,6-diphenylnaphthalene.

Molecular Properties

Compound Name1,4,5,8-tetrabromo-2,6-diphenylnaphthalene
PubChem CID155342029
Molecular FormulaC22H12Br4
Molecular Weight595.95 g/mol
Exact Mass591.77
IUPAC Name1,4,5,8-tetrabromo-2,6-diphenylnaphthalene
SMILESBrc1cc(-c2ccccc2)c(Br)c2c(Br)cc(-c3ccccc3)c(Br)c12
InChIInChI=1S/C22H12Br4/c23-17-11-15(13-7-3-1-4-8-13)21(25)19-18(24)12-16(22(26)20(17)19)14-9-5-2-6-10-14/h1-12H
InChIKeyCAVCAKXXOVFNSC-UHFFFAOYSA-N
XLogP9.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.95
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,4,5,8-tetrabromo-2,6-diphenylnaphthalene 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

2,5-dibromo-1,3-diphenylbenzene
CID 142746562
1,2,3,5-tetrabromo-4-(2-phenylphenyl)benzene
CID 87347714
CID 174614821
CID 174614821
1-bromo-4-[4-bromo-2,5-bis(4-phenylphenyl)phenyl]-2,5-bis(4-phenylphenyl)benzene
CID 175787735
3-bromo-4-(3-bromo-1-phenylazulen-4-yl)-1-phenylazulene
CID 175687151
2-bromo-1-iodo-3,5-diphenylbenzene
CID 167285522
1-bromo-2-ethenyl-3,4,5-triphenylbenzene
CID 175315549
CID 89317260
CID 89317260
1-bromo-2-phenyl-4-(2-phenylphenyl)benzene
CID 170404819
3-bromo-1,6-diphenylpyrene
CID 86668275
sodium;2,5-dibromo-4-phenylbenzenesulfonic acid;hydride
CID 173085882
4,5-dibromo-1-phenylnaphthalene
CID 155350544

Frequently Asked Questions

What is the IUPAC name of 1,4,5,8-tetrabromo-2,6-diphenylnaphthalene?
The IUPAC name of 1,4,5,8-tetrabromo-2,6-diphenylnaphthalene (CID 155342029) is 1,4,5,8-tetrabromo-2,6-diphenylnaphthalene.
What is the SMILES notation for 1,4,5,8-tetrabromo-2,6-diphenylnaphthalene?
The canonical SMILES for 1,4,5,8-tetrabromo-2,6-diphenylnaphthalene is Brc1cc(-c2ccccc2)c(Br)c2c(Br)cc(-c3ccccc3)c(Br)c12.
What is the InChIKey of 1,4,5,8-tetrabromo-2,6-diphenylnaphthalene?
The InChIKey is CAVCAKXXOVFNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12Br4/c23-17-11-15(13-7-3-1-4-8-13)21(25)19-18(24)12-16(22(26)20(17)19)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 1,4,5,8-tetrabromo-2,6-diphenylnaphthalene?
1,4,5,8-tetrabromo-2,6-diphenylnaphthalene has a molecular weight of 595.95 g/mol, XLogP of 9.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,8-tetrabromo-2,6-diphenylnaphthalene is sourced from PubChem (CID 155342029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).