10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine

C58H44N2 — CID 135226075

IUPAC10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccc(C2(c3ccccc3)c3ccccc3N(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C58H44N2/c1-41-31-37-55-51(39-41)58(44-21-9-4-10-22-44,45-23-11-5-12-24-45)52-40-42(2)32-38-56(52)60(55)48-35-33-46(34-36-48)57(43-19-7-3-8-20-43)49-27-15-17-29-53(49)59(47-25-13-6-14-26-47)54-30-18-16-28-50(54)57/h3-40H,1-2H3
InChIKeySDNFNSILWFOYLT-UHFFFAOYSA-N
MW769.00 g/mol
LogP14.64
Rot. Bonds6

About 10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine

10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine (PubChem CID 135226075) has the molecular formula C58H44N2 and a molecular weight of 769.00 g/mol. Its IUPAC name is 10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine.

Molecular Properties

Compound Name10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
PubChem CID135226075
Molecular FormulaC58H44N2
Molecular Weight769.00 g/mol
Exact Mass768.35
IUPAC Name10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine
SMILESCc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccc(C2(c3ccccc3)c3ccccc3N(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C58H44N2/c1-41-31-37-55-51(39-41)58(44-21-9-4-10-22-44,45-23-11-5-12-24-45)52-40-42(2)32-38-56(52)60(55)48-35-33-46(34-36-48)57(43-19-7-3-8-20-43)49-27-15-17-29-53(49)59(47-25-13-6-14-26-47)54-30-18-16-28-50(54)57/h3-40H,1-2H3
InChIKeySDNFNSILWFOYLT-UHFFFAOYSA-N
XLogP14.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.00
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine?
The IUPAC name of 10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine (CID 135226075) is 10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine.
What is the SMILES notation for 10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine?
The canonical SMILES for 10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine is Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1N2c1ccc(C2(c3ccccc3)c3ccccc3N(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine?
The InChIKey is SDNFNSILWFOYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2/c1-41-31-37-55-51(39-41)58(44-21-9-4-10-22-44,45-23-11-5-12-24-45)52-40-42(2)32-38-56(52)60(55)48-35-33-46(34-36-48)57(43-19-7-3-8-20-43)49-27-15-17-29-53(49)59(47-25-13-6-14-26-47)54-30-18-16-28-50(54)57/h3-40H,1-2H3.
What are the key properties of 10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine?
10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine has a molecular weight of 769.00 g/mol, XLogP of 14.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(9,10-diphenylacridin-9-yl)phenyl]-2,7-dimethyl-9,9-diphenylacridine is sourced from PubChem (CID 135226075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).