1'-(5-bromo-2-chloro-3-spiro[10H-acridine-9,9'-xanthene]-1'-ylphenyl)spiro[10H-acridine-9,9'-xanthene]

C56H34BrClN2O2 — CID 171780099

IUPAC1'-(5-bromo-2-chloro-3-spiro[10H-acridine-9,9'-xanthene]-1'-ylphenyl)spiro[10H-acridine-9,9'-xanthene]
SMILESClc1c(-c2cccc3c2C2(c4ccccc4Nc4ccccc42)c2ccccc2O3)cc(Br)cc1-c1cccc2c1C1(c3ccccc3Nc3ccccc31)c1ccccc1O2
InChIInChI=1S/C56H34BrClN2O2/c57-33-31-36(34-15-13-29-50-52(34)55(42-21-5-11-27-48(42)61-50)38-17-1-7-23-44(38)59-45-24-8-2-18-39(45)55)54(58)37(32-33)35-16-14-30-51-53(35)56(43-22-6-12-28-49(43)62-51)40-19-3-9-25-46(40)60-47-26-10-4-20-41(47)56/h1-32,59-60H
InChIKeyDHFWDVNOTIGMIU-UHFFFAOYSA-N
MW882.26 g/mol
LogP15.53
Rot. Bonds2

About 1'-(5-bromo-2-chloro-3-spiro[10H-acridine-9,9'-xanthene]-1'-ylphenyl)spiro[10H-acridine-9,9'-xanthene]

1'-(5-bromo-2-chloro-3-spiro[10H-acridine-9,9'-xanthene]-1'-ylphenyl)spiro[10H-acridine-9,9'-xanthene] (PubChem CID 171780099) has the molecular formula C56H34BrClN2O2 and a molecular weight of 882.26 g/mol. Its IUPAC name is 1'-(5-bromo-2-chloro-3-spiro[10H-acridine-9,9'-xanthene]-1'-ylphenyl)spiro[10H-acridine-9,9'-xanthene].

Molecular Properties

Compound Name1'-(5-bromo-2-chloro-3-spiro[10H-acridine-9,9'-xanthene]-1'-ylphenyl)spiro[10H-acridine-9,9'-xanthene]
PubChem CID171780099
Molecular FormulaC56H34BrClN2O2
Molecular Weight882.26 g/mol
Exact Mass880.15
IUPAC Name1'-(5-bromo-2-chloro-3-spiro[10H-acridine-9,9'-xanthene]-1'-ylphenyl)spiro[10H-acridine-9,9'-xanthene]
SMILESClc1c(-c2cccc3c2C2(c4ccccc4Nc4ccccc42)c2ccccc2O3)cc(Br)cc1-c1cccc2c1C1(c3ccccc3Nc3ccccc31)c1ccccc1O2
InChIInChI=1S/C56H34BrClN2O2/c57-33-31-36(34-15-13-29-50-52(34)55(42-21-5-11-27-48(42)61-50)38-17-1-7-23-44(38)59-45-24-8-2-18-39(45)55)54(58)37(32-33)35-16-14-30-51-53(35)56(43-22-6-12-28-49(43)62-51)40-19-3-9-25-46(40)60-47-26-10-4-20-41(47)56/h1-32,59-60H
InChIKeyDHFWDVNOTIGMIU-UHFFFAOYSA-N
XLogP15.53
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.26
LogP ≤ 515.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1'-(5-bromo-2-chloro-3-spiro[10H-acridine-9,9'-xanthene]-1'-ylphenyl)spiro[10H-acridine-9,9'-xanthene] with MolForge

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Related Compounds

2-bromo-4-chlorospiro[fluorene-9,9'-xanthene]
CID 166844859
1'-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170023741
2,3-bis(ethenyl)spiro[1H-quinoline-4,9'-xanthene]
CID 144768136
1'-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
CID 170018138
CID 153420213
CID 153420213
spiro[10H-acridine-9,9'-fluorene]
CID 13293439
4-[3-(2,3,4,5,6-pentakis-phenyl-1,3,5,2,4,6-triazatriborinan-1-yl)phenyl]spiro[10H-acridine-9,9'-xanthene]
CID 140961135
3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene]
CID 148559935
2-(6-bromonaphthalen-2-yl)-3-chlorospiro[fluorene-9,9'-xanthene]
CID 168854083
9,9'-spirobi[10H-acridine]
CID 11210173
4-(4-chlorophenyl)-1-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 168750793
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907

Frequently Asked Questions

What is the IUPAC name of 1'-(5-bromo-2-chloro-3-spiro[10H-acridine-9,9'-xanthene]-1'-ylphenyl)spiro[10H-acridine-9,9'-xanthene]?
The IUPAC name of 1'-(5-bromo-2-chloro-3-spiro[10H-acridine-9,9'-xanthene]-1'-ylphenyl)spiro[10H-acridine-9,9'-xanthene] (CID 171780099) is 1'-(5-bromo-2-chloro-3-spiro[10H-acridine-9,9'-xanthene]-1'-ylphenyl)spiro[10H-acridine-9,9'-xanthene].
What is the SMILES notation for 1'-(5-bromo-2-chloro-3-spiro[10H-acridine-9,9'-xanthene]-1'-ylphenyl)spiro[10H-acridine-9,9'-xanthene]?
The canonical SMILES for 1'-(5-bromo-2-chloro-3-spiro[10H-acridine-9,9'-xanthene]-1'-ylphenyl)spiro[10H-acridine-9,9'-xanthene] is Clc1c(-c2cccc3c2C2(c4ccccc4Nc4ccccc42)c2ccccc2O3)cc(Br)cc1-c1cccc2c1C1(c3ccccc3Nc3ccccc31)c1ccccc1O2.
What is the InChIKey of 1'-(5-bromo-2-chloro-3-spiro[10H-acridine-9,9'-xanthene]-1'-ylphenyl)spiro[10H-acridine-9,9'-xanthene]?
The InChIKey is DHFWDVNOTIGMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34BrClN2O2/c57-33-31-36(34-15-13-29-50-52(34)55(42-21-5-11-27-48(42)61-50)38-17-1-7-23-44(38)59-45-24-8-2-18-39(45)55)54(58)37(32-33)35-16-14-30-51-53(35)56(43-22-6-12-28-49(43)62-51)40-19-3-9-25-46(40)60-47-26-10-4-20-41(47)56/h1-32,59-60H.
What are the key properties of 1'-(5-bromo-2-chloro-3-spiro[10H-acridine-9,9'-xanthene]-1'-ylphenyl)spiro[10H-acridine-9,9'-xanthene]?
1'-(5-bromo-2-chloro-3-spiro[10H-acridine-9,9'-xanthene]-1'-ylphenyl)spiro[10H-acridine-9,9'-xanthene] has a molecular weight of 882.26 g/mol, XLogP of 15.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-bromo-2-chloro-3-spiro[10H-acridine-9,9'-xanthene]-1'-ylphenyl)spiro[10H-acridine-9,9'-xanthene] is sourced from PubChem (CID 171780099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).