CID 153420213

C48H30Br2Cl2O2 — CID 153420213

IUPAC—
SMILESClc1c(Cl)c2c(c3c1CCc1ccc(Br)cc1C31c3ccccc3Oc3ccccc31)CCc1ccc(Br)cc1C21c2ccccc2Oc2ccccc21
InChIInChI=1S/C48H30Br2Cl2O2/c49-29-22-18-28-20-24-32-43(47(37(28)25-29)33-9-1-5-13-39(33)53-40-14-6-2-10-34(40)47)31-23-19-27-17-21-30(50)26-38(27)48(44(31)46(52)45(32)51)35-11-3-7-15-41(35)54-42-16-8-4-12-36(42)48/h1-18,21-22,25-26H,19-20,23-24H2
InChIKeyROOZQGUNVYDUQX-UHFFFAOYSA-N
MW869.48 g/mol
LogP13.69
Rot. Bonds

About CID 153420213

CID 153420213 (PubChem CID 153420213) has the molecular formula C48H30Br2Cl2O2 and a molecular weight of 869.48 g/mol.

Molecular Properties

Compound NameCID 153420213
PubChem CID153420213
Molecular FormulaC48H30Br2Cl2O2
Molecular Weight869.48 g/mol
Exact Mass866.00
IUPAC Name—
SMILESClc1c(Cl)c2c(c3c1CCc1ccc(Br)cc1C31c3ccccc3Oc3ccccc31)CCc1ccc(Br)cc1C21c2ccccc2Oc2ccccc21
InChIInChI=1S/C48H30Br2Cl2O2/c49-29-22-18-28-20-24-32-43(47(37(28)25-29)33-9-1-5-13-39(33)53-40-14-6-2-10-34(40)47)31-23-19-27-17-21-30(50)26-38(27)48(44(31)46(52)45(32)51)35-11-3-7-15-41(35)54-42-16-8-4-12-36(42)48/h1-18,21-22,25-26H,19-20,23-24H2
InChIKeyROOZQGUNVYDUQX-UHFFFAOYSA-N
XLogP13.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.48
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 153420213 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'-(5-bromo-2-chloro-3-spiro[10H-acridine-9,9'-xanthene]-1'-ylphenyl)spiro[10H-acridine-9,9'-xanthene]
CID 171780099
2-bromo-4-chlorospiro[fluorene-9,9'-xanthene]
CID 166844859
3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene]
CID 148559935
2-(6-bromonaphthalen-2-yl)-3-chlorospiro[fluorene-9,9'-xanthene]
CID 168854083
2'-bromospiro[adamantane-2,9'-xanthene]
CID 169099359
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
spiro[thioxanthene-9,9'-xanthene]
CID 59096341
15-methyl-8,14,16,22-tetraoxa-15-phosphaheptacyclo[15.11.1.11,9.02,7.021,29.023,28.013,30]triaconta-2,4,6,9(30),10,12,17,19,21(29),23,25,27-dodecaene
CID 58608940
3'-bromospiro[10H-acridine-9,10'-9H-anthracene]
CID 147628899
2,7-bis(trifluoromethyl)spiro[fluorene-9,9'-xanthene]
CID 118965533
9,9-bis(3-methylphenyl)xanthene
CID 23542272
3-bromobicyclo[4.2.0]octa-1(6),2,4-triene
CID 10866980

Frequently Asked Questions

What is the IUPAC name of CID 153420213?
The IUPAC name of CID 153420213 (CID 153420213) is not available.
What is the SMILES notation for CID 153420213?
The canonical SMILES for CID 153420213 is Clc1c(Cl)c2c(c3c1CCc1ccc(Br)cc1C31c3ccccc3Oc3ccccc31)CCc1ccc(Br)cc1C21c2ccccc2Oc2ccccc21.
What is the InChIKey of CID 153420213?
The InChIKey is ROOZQGUNVYDUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30Br2Cl2O2/c49-29-22-18-28-20-24-32-43(47(37(28)25-29)33-9-1-5-13-39(33)53-40-14-6-2-10-34(40)47)31-23-19-27-17-21-30(50)26-38(27)48(44(31)46(52)45(32)51)35-11-3-7-15-41(35)54-42-16-8-4-12-36(42)48/h1-18,21-22,25-26H,19-20,23-24H2.
What are the key properties of CID 153420213?
CID 153420213 has a molecular weight of 869.48 g/mol, XLogP of 13.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153420213 is sourced from PubChem (CID 153420213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).