8,9-bis(2-bromophenyl)-1,6,7,10-tetramethylfluoranthene

C32H24Br2 — CID 11813781

IUPAC8,9-bis(2-bromophenyl)-1,6,7,10-tetramethylfluoranthene
SMILESCc1ccc2ccc(C)c3c2c1-c1c(C)c(-c2ccccc2Br)c(-c2ccccc2Br)c(C)c1-3
InChIInChI=1S/C32H24Br2/c1-17-13-15-21-16-14-18(2)27-31-20(4)29(23-10-6-8-12-25(23)34)28(22-9-5-7-11-24(22)33)19(3)30(31)26(17)32(21)27/h5-16H,1-4H3
InChIKeyKHJADBNIGMWHJB-UHFFFAOYSA-N
MW568.35 g/mol
LogP10.58
Rot. Bonds2

About 8,9-bis(2-bromophenyl)-1,6,7,10-tetramethylfluoranthene

8,9-bis(2-bromophenyl)-1,6,7,10-tetramethylfluoranthene (PubChem CID 11813781) has the molecular formula C32H24Br2 and a molecular weight of 568.35 g/mol. Its IUPAC name is 8,9-bis(2-bromophenyl)-1,6,7,10-tetramethylfluoranthene.

Molecular Properties

Compound Name8,9-bis(2-bromophenyl)-1,6,7,10-tetramethylfluoranthene
PubChem CID11813781
Molecular FormulaC32H24Br2
Molecular Weight568.35 g/mol
Exact Mass566.02
IUPAC Name8,9-bis(2-bromophenyl)-1,6,7,10-tetramethylfluoranthene
SMILESCc1ccc2ccc(C)c3c2c1-c1c(C)c(-c2ccccc2Br)c(-c2ccccc2Br)c(C)c1-3
InChIInChI=1S/C32H24Br2/c1-17-13-15-21-16-14-18(2)27-31-20(4)29(23-10-6-8-12-25(23)34)28(22-9-5-7-11-24(22)33)19(3)30(31)26(17)32(21)27/h5-16H,1-4H3
InChIKeyKHJADBNIGMWHJB-UHFFFAOYSA-N
XLogP10.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.35
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 8,9-bis(2-bromophenyl)-1,6,7,10-tetramethylfluoranthene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8,9-bis(2-bromophenyl)-1,6,7,10-tetramethylfluoranthene?
The IUPAC name of 8,9-bis(2-bromophenyl)-1,6,7,10-tetramethylfluoranthene (CID 11813781) is 8,9-bis(2-bromophenyl)-1,6,7,10-tetramethylfluoranthene.
What is the SMILES notation for 8,9-bis(2-bromophenyl)-1,6,7,10-tetramethylfluoranthene?
The canonical SMILES for 8,9-bis(2-bromophenyl)-1,6,7,10-tetramethylfluoranthene is Cc1ccc2ccc(C)c3c2c1-c1c(C)c(-c2ccccc2Br)c(-c2ccccc2Br)c(C)c1-3.
What is the InChIKey of 8,9-bis(2-bromophenyl)-1,6,7,10-tetramethylfluoranthene?
The InChIKey is KHJADBNIGMWHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24Br2/c1-17-13-15-21-16-14-18(2)27-31-20(4)29(23-10-6-8-12-25(23)34)28(22-9-5-7-11-24(22)33)19(3)30(31)26(17)32(21)27/h5-16H,1-4H3.
What are the key properties of 8,9-bis(2-bromophenyl)-1,6,7,10-tetramethylfluoranthene?
8,9-bis(2-bromophenyl)-1,6,7,10-tetramethylfluoranthene has a molecular weight of 568.35 g/mol, XLogP of 10.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-bis(2-bromophenyl)-1,6,7,10-tetramethylfluoranthene is sourced from PubChem (CID 11813781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).