3-bromofluoranthene;8-bromofluoranthene

C32H18Br2 — CID 174507222

IUPAC3-bromofluoranthene;8-bromofluoranthene
SMILESBrc1ccc2c(c1)-c1cccc3cccc-2c13.Brc1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/2C16H9Br/c17-11-7-8-12-13-5-1-3-10-4-2-6-14(16(10)13)15(12)9-11;17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h2*1-9H
InChIKeyMJJOIYHFKYWIIO-UHFFFAOYSA-N
MW562.30 g/mol
LogP10.50
Rot. Bonds

About 3-bromofluoranthene;8-bromofluoranthene

3-bromofluoranthene;8-bromofluoranthene (PubChem CID 174507222) has the molecular formula C32H18Br2 and a molecular weight of 562.30 g/mol. Its IUPAC name is 3-bromofluoranthene;8-bromofluoranthene.

Molecular Properties

Compound Name3-bromofluoranthene;8-bromofluoranthene
PubChem CID174507222
Molecular FormulaC32H18Br2
Molecular Weight562.30 g/mol
Exact Mass559.98
IUPAC Name3-bromofluoranthene;8-bromofluoranthene
SMILESBrc1ccc2c(c1)-c1cccc3cccc-2c13.Brc1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/2C16H9Br/c17-11-7-8-12-13-5-1-3-10-4-2-6-14(16(10)13)15(12)9-11;17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h2*1-9H
InChIKeyMJJOIYHFKYWIIO-UHFFFAOYSA-N
XLogP10.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.30
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-bromofluoranthene;8-bromofluoranthene 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

8-bromo-3-naphthalen-1-ylfluoranthene
CID 139499164
9-bromobenzo[a]phenalen-7-one
CID 118565290
3,9-dibromo-7,12-diphenylbenzo[k]fluoranthene
CID 71071926
fluoranthene
CID 139203734
15-bromopentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14(19),15,17-decaene
CID 87763316
ethane;fluoranthene;triphenylene
CID 160720447
decacyclo[22.9.2.17,11.02,20.04,18.06,16.021,34.025,30.031,35.015,36]hexatriaconta-1(34),2,4,6(16),7,9,11(36),12,14,17,19,21,23,25,27,29,31(35),32-octadecaene
CID 150178057
3-(2-bromophenyl)fluoranthene
CID 58390376
2-bromo-1-(7-bromonaphthalen-1-yl)naphthalene
CID 139178070
8-(7-phenanthren-3-ylnaphthalen-2-yl)fluoranthene
CID 168812619
3-bromobenzo[e]pyrene
CID 12727091
6-bromobenzo[k]fluoranthene
CID 86073860

Frequently Asked Questions

What is the IUPAC name of 3-bromofluoranthene;8-bromofluoranthene?
The IUPAC name of 3-bromofluoranthene;8-bromofluoranthene (CID 174507222) is 3-bromofluoranthene;8-bromofluoranthene.
What is the SMILES notation for 3-bromofluoranthene;8-bromofluoranthene?
The canonical SMILES for 3-bromofluoranthene;8-bromofluoranthene is Brc1ccc2c(c1)-c1cccc3cccc-2c13.Brc1ccc2c3c(cccc13)-c1ccccc1-2.
What is the InChIKey of 3-bromofluoranthene;8-bromofluoranthene?
The InChIKey is MJJOIYHFKYWIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H9Br/c17-11-7-8-12-13-5-1-3-10-4-2-6-14(16(10)13)15(12)9-11;17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h2*1-9H.
What are the key properties of 3-bromofluoranthene;8-bromofluoranthene?
3-bromofluoranthene;8-bromofluoranthene has a molecular weight of 562.30 g/mol, XLogP of 10.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromofluoranthene;8-bromofluoranthene is sourced from PubChem (CID 174507222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).