10-[5-bromo-2-chloro-3-(9-cyclohexa-1,5-dien-1-yl-9-phenylacridin-10-yl)phenyl]-9,9-diphenylacridine

C56H40BrClN2 — CID 170041138

IUPAC10-[5-bromo-2-chloro-3-(9-cyclohexa-1,5-dien-1-yl-9-phenylacridin-10-yl)phenyl]-9,9-diphenylacridine
SMILESClc1c(N2c3ccccc3C(C3=CCCC=C3)(c3ccccc3)c3ccccc32)cc(Br)cc1N1c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C56H40BrClN2/c57-43-37-52(59-48-33-17-13-29-44(48)55(39-21-5-1-6-22-39,40-23-7-2-8-24-40)45-30-14-18-34-49(45)59)54(58)53(38-43)60-50-35-19-15-31-46(50)56(41-25-9-3-10-26-41,42-27-11-4-12-28-42)47-32-16-20-36-51(47)60/h1-3,5-11,13-38H,4,12H2
InChIKeyRKVKYXYOXDKUIS-UHFFFAOYSA-N
MW856.31 g/mol
LogP15.66
Rot. Bonds6

About 10-[5-bromo-2-chloro-3-(9-cyclohexa-1,5-dien-1-yl-9-phenylacridin-10-yl)phenyl]-9,9-diphenylacridine

10-[5-bromo-2-chloro-3-(9-cyclohexa-1,5-dien-1-yl-9-phenylacridin-10-yl)phenyl]-9,9-diphenylacridine (PubChem CID 170041138) has the molecular formula C56H40BrClN2 and a molecular weight of 856.31 g/mol. Its IUPAC name is 10-[5-bromo-2-chloro-3-(9-cyclohexa-1,5-dien-1-yl-9-phenylacridin-10-yl)phenyl]-9,9-diphenylacridine.

Molecular Properties

Compound Name10-[5-bromo-2-chloro-3-(9-cyclohexa-1,5-dien-1-yl-9-phenylacridin-10-yl)phenyl]-9,9-diphenylacridine
PubChem CID170041138
Molecular FormulaC56H40BrClN2
Molecular Weight856.31 g/mol
Exact Mass854.21
IUPAC Name10-[5-bromo-2-chloro-3-(9-cyclohexa-1,5-dien-1-yl-9-phenylacridin-10-yl)phenyl]-9,9-diphenylacridine
SMILESClc1c(N2c3ccccc3C(C3=CCCC=C3)(c3ccccc3)c3ccccc32)cc(Br)cc1N1c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C56H40BrClN2/c57-43-37-52(59-48-33-17-13-29-44(48)55(39-21-5-1-6-22-39,40-23-7-2-8-24-40)45-30-14-18-34-49(45)59)54(58)53(38-43)60-50-35-19-15-31-46(50)56(41-25-9-3-10-26-41,42-27-11-4-12-28-42)47-32-16-20-36-51(47)60/h1-3,5-11,13-38H,4,12H2
InChIKeyRKVKYXYOXDKUIS-UHFFFAOYSA-N
XLogP15.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.31
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-[5-bromo-2-chloro-3-(9-cyclohexa-1,5-dien-1-yl-9-phenylacridin-10-yl)phenyl]-9,9-diphenylacridine?
The IUPAC name of 10-[5-bromo-2-chloro-3-(9-cyclohexa-1,5-dien-1-yl-9-phenylacridin-10-yl)phenyl]-9,9-diphenylacridine (CID 170041138) is 10-[5-bromo-2-chloro-3-(9-cyclohexa-1,5-dien-1-yl-9-phenylacridin-10-yl)phenyl]-9,9-diphenylacridine.
What is the SMILES notation for 10-[5-bromo-2-chloro-3-(9-cyclohexa-1,5-dien-1-yl-9-phenylacridin-10-yl)phenyl]-9,9-diphenylacridine?
The canonical SMILES for 10-[5-bromo-2-chloro-3-(9-cyclohexa-1,5-dien-1-yl-9-phenylacridin-10-yl)phenyl]-9,9-diphenylacridine is Clc1c(N2c3ccccc3C(C3=CCCC=C3)(c3ccccc3)c3ccccc32)cc(Br)cc1N1c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21.
What is the InChIKey of 10-[5-bromo-2-chloro-3-(9-cyclohexa-1,5-dien-1-yl-9-phenylacridin-10-yl)phenyl]-9,9-diphenylacridine?
The InChIKey is RKVKYXYOXDKUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40BrClN2/c57-43-37-52(59-48-33-17-13-29-44(48)55(39-21-5-1-6-22-39,40-23-7-2-8-24-40)45-30-14-18-34-49(45)59)54(58)53(38-43)60-50-35-19-15-31-46(50)56(41-25-9-3-10-26-41,42-27-11-4-12-28-42)47-32-16-20-36-51(47)60/h1-3,5-11,13-38H,4,12H2.
What are the key properties of 10-[5-bromo-2-chloro-3-(9-cyclohexa-1,5-dien-1-yl-9-phenylacridin-10-yl)phenyl]-9,9-diphenylacridine?
10-[5-bromo-2-chloro-3-(9-cyclohexa-1,5-dien-1-yl-9-phenylacridin-10-yl)phenyl]-9,9-diphenylacridine has a molecular weight of 856.31 g/mol, XLogP of 15.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-bromo-2-chloro-3-(9-cyclohexa-1,5-dien-1-yl-9-phenylacridin-10-yl)phenyl]-9,9-diphenylacridine is sourced from PubChem (CID 170041138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).