2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine

C50H40N4 — CID 134579023

IUPAC2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)C(C)(C)c2cc(-c4nc(-c5ccccc5)c5ccccc5n4)ccc2N3c2ccccc2)c2ccccc21
InChIInChI=1S/C50H40N4/c1-49(2)38-22-12-15-25-43(38)54(44-26-16-13-23-39(44)49)36-28-30-46-41(32-36)50(3,4)40-31-34(27-29-45(40)53(46)35-19-9-6-10-20-35)48-51-42-24-14-11-21-37(42)47(52-48)33-17-7-5-8-18-33/h5-32H,1-4H3
InChIKeyWQBXAOISNXUCHO-UHFFFAOYSA-N
MW696.90 g/mol
LogP13.18
Rot. Bonds4

About 2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine

2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine (PubChem CID 134579023) has the molecular formula C50H40N4 and a molecular weight of 696.90 g/mol. Its IUPAC name is 2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine.

Molecular Properties

Compound Name2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine
PubChem CID134579023
Molecular FormulaC50H40N4
Molecular Weight696.90 g/mol
Exact Mass696.33
IUPAC Name2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine
SMILESCC1(C)c2ccccc2N(c2ccc3c(c2)C(C)(C)c2cc(-c4nc(-c5ccccc5)c5ccccc5n4)ccc2N3c2ccccc2)c2ccccc21
InChIInChI=1S/C50H40N4/c1-49(2)38-22-12-15-25-43(38)54(44-26-16-13-23-39(44)49)36-28-30-46-41(32-36)50(3,4)40-31-34(27-29-45(40)53(46)35-19-9-6-10-20-35)48-51-42-24-14-11-21-37(42)47(52-48)33-17-7-5-8-18-33/h5-32H,1-4H3
InChIKeyWQBXAOISNXUCHO-UHFFFAOYSA-N
XLogP13.18
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.90
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine with MolForge

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Related Compounds

10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole
CID 134431272
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
14-phenyl-10-(4-phenylquinazolin-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118216167
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethyl-10-phenylacridine
CID 118472949
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007170
11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431604
9,9-dimethyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)acridine
CID 118472936
2-[6-(9,9-dimethyl-10-phenylacridin-2-yl)-2-pyridinyl]-9,9-dimethyl-10-phenylacridine
CID 59399596
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
9,9-dimethyl-10-(4-naphthalen-1-yl-2-phenylquinazolin-7-yl)acridine
CID 130396291
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine?
The IUPAC name of 2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine (CID 134579023) is 2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine.
What is the SMILES notation for 2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine?
The canonical SMILES for 2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine is CC1(C)c2ccccc2N(c2ccc3c(c2)C(C)(C)c2cc(-c4nc(-c5ccccc5)c5ccccc5n4)ccc2N3c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine?
The InChIKey is WQBXAOISNXUCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H40N4/c1-49(2)38-22-12-15-25-43(38)54(44-26-16-13-23-39(44)49)36-28-30-46-41(32-36)50(3,4)40-31-34(27-29-45(40)53(46)35-19-9-6-10-20-35)48-51-42-24-14-11-21-37(42)47(52-48)33-17-7-5-8-18-33/h5-32H,1-4H3.
What are the key properties of 2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine?
2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine has a molecular weight of 696.90 g/mol, XLogP of 13.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine is sourced from PubChem (CID 134579023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).