9,10-bis[3,5-bis(bromomethyl)phenyl]anthracene

C30H22Br4 — CID 139834387

IUPAC9,10-bis[3,5-bis(bromomethyl)phenyl]anthracene
SMILESBrCc1cc(CBr)cc(-c2c3ccccc3c(-c3cc(CBr)cc(CBr)c3)c3ccccc23)c1
InChIInChI=1S/C30H22Br4/c31-15-19-9-20(16-32)12-23(11-19)29-25-5-1-2-6-26(25)30(28-8-4-3-7-27(28)29)24-13-21(17-33)10-22(14-24)18-34/h1-14H,15-18H2
InChIKeyOXPXBICYDKCCGR-UHFFFAOYSA-N
MW702.12 g/mol
LogP10.91
Rot. Bonds6

About 9,10-bis[3,5-bis(bromomethyl)phenyl]anthracene

9,10-bis[3,5-bis(bromomethyl)phenyl]anthracene (PubChem CID 139834387) has the molecular formula C30H22Br4 and a molecular weight of 702.12 g/mol. Its IUPAC name is 9,10-bis[3,5-bis(bromomethyl)phenyl]anthracene.

Molecular Properties

Compound Name9,10-bis[3,5-bis(bromomethyl)phenyl]anthracene
PubChem CID139834387
Molecular FormulaC30H22Br4
Molecular Weight702.12 g/mol
Exact Mass697.85
IUPAC Name9,10-bis[3,5-bis(bromomethyl)phenyl]anthracene
SMILESBrCc1cc(CBr)cc(-c2c3ccccc3c(-c3cc(CBr)cc(CBr)c3)c3ccccc23)c1
InChIInChI=1S/C30H22Br4/c31-15-19-9-20(16-32)12-23(11-19)29-25-5-1-2-6-26(25)30(28-8-4-3-7-27(28)29)24-13-21(17-33)10-22(14-24)18-34/h1-14H,15-18H2
InChIKeyOXPXBICYDKCCGR-UHFFFAOYSA-N
XLogP10.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.12
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-[4-(bromomethyl)phenyl]acridine
CID 10712694
1,1'-biphenyl;1-(bromomethyl)-4-phenylbenzene
CID 174560327
9,10-diphenylanthracene;ethane;9-phenyl-10-[(10-phenylanthracen-9-yl)methyl]anthracene
CID 157434861
5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol
CID 11047500
9-[3,5-bis(3-bromophenyl)phenyl]-10-(3,5-dipentylphenyl)anthracene
CID 134392863
9-(3-phenylphenyl)-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 23579750
3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene
CID 168838204
5-[10-(3,5-dihydroxyphenyl)anthracen-9-yl]benzene-1,3-diol;ethanol
CID 71422766
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9-[3,5-bis(4-methylphenyl)phenyl]-10-[10-[3,5-bis(4-methylphenyl)phenyl]anthracen-9-yl]anthracene
CID 123828708
9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene
CID 58722434
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 59398961

Frequently Asked Questions

What is the IUPAC name of 9,10-bis[3,5-bis(bromomethyl)phenyl]anthracene?
The IUPAC name of 9,10-bis[3,5-bis(bromomethyl)phenyl]anthracene (CID 139834387) is 9,10-bis[3,5-bis(bromomethyl)phenyl]anthracene.
What is the SMILES notation for 9,10-bis[3,5-bis(bromomethyl)phenyl]anthracene?
The canonical SMILES for 9,10-bis[3,5-bis(bromomethyl)phenyl]anthracene is BrCc1cc(CBr)cc(-c2c3ccccc3c(-c3cc(CBr)cc(CBr)c3)c3ccccc23)c1.
What is the InChIKey of 9,10-bis[3,5-bis(bromomethyl)phenyl]anthracene?
The InChIKey is OXPXBICYDKCCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22Br4/c31-15-19-9-20(16-32)12-23(11-19)29-25-5-1-2-6-26(25)30(28-8-4-3-7-27(28)29)24-13-21(17-33)10-22(14-24)18-34/h1-14H,15-18H2.
What are the key properties of 9,10-bis[3,5-bis(bromomethyl)phenyl]anthracene?
9,10-bis[3,5-bis(bromomethyl)phenyl]anthracene has a molecular weight of 702.12 g/mol, XLogP of 10.91, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis[3,5-bis(bromomethyl)phenyl]anthracene is sourced from PubChem (CID 139834387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).