2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene

C36H21Br3 — CID 71484457

IUPAC2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene
SMILESBrc1c(-c2cc(-c3ccc4ccccc4c3Br)cc(-c3ccc4ccccc4c3Br)c2)ccc2ccccc12
InChIInChI=1S/C36H21Br3/c37-34-28-10-4-1-7-22(28)13-16-31(34)25-19-26(32-17-14-23-8-2-5-11-29(23)35(32)38)21-27(20-25)33-18-15-24-9-3-6-12-30(24)36(33)39/h1-21H
InChIKeyCYHDZGTVQXISPW-UHFFFAOYSA-N
MW693.28 g/mol
LogP12.43
Rot. Bonds3

About 2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene

2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene (PubChem CID 71484457) has the molecular formula C36H21Br3 and a molecular weight of 693.28 g/mol. Its IUPAC name is 2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene.

Molecular Properties

Compound Name2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene
PubChem CID71484457
Molecular FormulaC36H21Br3
Molecular Weight693.28 g/mol
Exact Mass689.92
IUPAC Name2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene
SMILESBrc1c(-c2cc(-c3ccc4ccccc4c3Br)cc(-c3ccc4ccccc4c3Br)c2)ccc2ccccc12
InChIInChI=1S/C36H21Br3/c37-34-28-10-4-1-7-22(28)13-16-31(34)25-19-26(32-17-14-23-8-2-5-11-29(23)35(32)38)21-27(20-25)33-18-15-24-9-3-6-12-30(24)36(33)39/h1-21H
InChIKeyCYHDZGTVQXISPW-UHFFFAOYSA-N
XLogP12.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.28
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene 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

1-bromo-2-phenylnaphthalene
CID 10956972
3-(1-bromonaphthalen-2-yl)thiophene
CID 68643635
3-(1-bromonaphthalen-2-yl)naphthalen-2-ol;ethane
CID 145193800
3-[3-(1-bromonaphthalen-2-yl)naphthalen-2-yl]naphthalene-2-carbaldehyde
CID 162418644
1-(3-bromo-5-phenylphenyl)naphthalene
CID 67301635
9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
2-(1-bromonaphthalen-2-yl)-1H-benzimidazole
CID 101479527
2-[3,5-bis[1-(2-phenylethynyl)naphthalen-2-yl]phenyl]-1-(2-phenylethynyl)naphthalene
CID 122229188
nonacyclo[30.8.0.02,11.03,8.012,21.015,20.022,31.023,28.035,40]tetraconta-1(32),2(11),3,5,7,9,12(21),13,15,17,19,22(31),23,25,27,29,33,35,37,39-icosaene
CID 15525083
9-bromo-10-(1-fluoronaphthalen-2-yl)anthracene
CID 142705051

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene?
The IUPAC name of 2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene (CID 71484457) is 2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene.
What is the SMILES notation for 2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene?
The canonical SMILES for 2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene is Brc1c(-c2cc(-c3ccc4ccccc4c3Br)cc(-c3ccc4ccccc4c3Br)c2)ccc2ccccc12.
What is the InChIKey of 2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene?
The InChIKey is CYHDZGTVQXISPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21Br3/c37-34-28-10-4-1-7-22(28)13-16-31(34)25-19-26(32-17-14-23-8-2-5-11-29(23)35(32)38)21-27(20-25)33-18-15-24-9-3-6-12-30(24)36(33)39/h1-21H.
What are the key properties of 2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene?
2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene has a molecular weight of 693.28 g/mol, XLogP of 12.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(1-bromonaphthalen-2-yl)phenyl]-1-bromonaphthalene is sourced from PubChem (CID 71484457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).