CID 134272960

C48H26Br2 — CID 134272960

IUPAC—
SMILESBrc1ccc2c(c1)C1(C3=C2C2(c4cc(Br)ccc43)c3ccccc3-c3c2ccc2ccccc32)c2ccccc2-c2c1ccc1ccccc21
InChIInChI=1S/C48H26Br2/c49-29-19-21-35-41(25-29)47(37-15-7-5-13-33(37)43-31-11-3-1-9-27(31)17-23-39(43)47)45-36-22-20-30(50)26-42(36)48(46(35)45)38-16-8-6-14-34(38)44-32-12-4-2-10-28(32)18-24-40(44)48/h1-26H
InChIKeyZOBAENXZCCWCJZ-UHFFFAOYSA-N
MW762.54 g/mol
LogP13.09
Rot. Bonds

About CID 134272960

CID 134272960 (PubChem CID 134272960) has the molecular formula C48H26Br2 and a molecular weight of 762.54 g/mol.

Molecular Properties

Compound NameCID 134272960
PubChem CID134272960
Molecular FormulaC48H26Br2
Molecular Weight762.54 g/mol
Exact Mass760.04
IUPAC Name—
SMILESBrc1ccc2c(c1)C1(C3=C2C2(c4cc(Br)ccc43)c3ccccc3-c3c2ccc2ccccc32)c2ccccc2-c2c1ccc1ccccc21
InChIInChI=1S/C48H26Br2/c49-29-19-21-35-41(25-29)47(37-15-7-5-13-33(37)43-31-11-3-1-9-27(31)17-23-39(43)47)45-36-22-20-30(50)26-42(36)48(46(35)45)38-16-8-6-14-34(38)44-32-12-4-2-10-28(32)18-24-40(44)48/h1-26H
InChIKeyZOBAENXZCCWCJZ-UHFFFAOYSA-N
XLogP13.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.54
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine
CID 134194075
3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene]
CID 164550694
CID 134272902
CID 134272902
5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene]
CID 158615914
2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
CID 130452820
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2-bromospiro[fluorene-9,9'-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene]
CID 163614779
4'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 140792308
2'-bromo-N,N-diphenylspiro[benzo[c]fluorene-7,9'-fluorene]-6-amine
CID 168775411
N,N-bis(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193953
2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
1'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 153412677

Frequently Asked Questions

What is the IUPAC name of CID 134272960?
The IUPAC name of CID 134272960 (CID 134272960) is not available.
What is the SMILES notation for CID 134272960?
The canonical SMILES for CID 134272960 is Brc1ccc2c(c1)C1(C3=C2C2(c4cc(Br)ccc43)c3ccccc3-c3c2ccc2ccccc32)c2ccccc2-c2c1ccc1ccccc21.
What is the InChIKey of CID 134272960?
The InChIKey is ZOBAENXZCCWCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H26Br2/c49-29-19-21-35-41(25-29)47(37-15-7-5-13-33(37)43-31-11-3-1-9-27(31)17-23-39(43)47)45-36-22-20-30(50)26-42(36)48(46(35)45)38-16-8-6-14-34(38)44-32-12-4-2-10-28(32)18-24-40(44)48/h1-26H.
What are the key properties of CID 134272960?
CID 134272960 has a molecular weight of 762.54 g/mol, XLogP of 13.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134272960 is sourced from PubChem (CID 134272960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).