2-cyclohexa-2,4-dien-1-yl-7-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(4-phenylquinazolin-2-yl)-[1,3]oxazolo[5,4-a]carbazole

C54H39N5O — CID 144788426

IUPAC2-cyclohexa-2,4-dien-1-yl-7-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(4-phenylquinazolin-2-yl)-[1,3]oxazolo[5,4-a]carbazole
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccc5nc(C6C=CC=CC6)oc5c3n4-c3nc(-c4ccccc4)c4ccccc4n3)cc21
InChIInChI=1S/C54H39N5O/c1-54(2)42-23-13-15-25-47(42)58(38-20-10-5-11-21-38)48-31-27-37(33-43(48)54)36-26-30-46-41(32-36)39-28-29-45-51(60-52(55-45)35-18-8-4-9-19-35)50(39)59(46)53-56-44-24-14-12-22-40(44)49(57-53)34-16-6-3-7-17-34/h3-18,20-33,35H,19H2,1-2H3
InChIKeyXNMPHPHJEOOJJA-UHFFFAOYSA-N
MW773.94 g/mol
LogP13.91
Rot. Bonds5

About 2-cyclohexa-2,4-dien-1-yl-7-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(4-phenylquinazolin-2-yl)-[1,3]oxazolo[5,4-a]carbazole

2-cyclohexa-2,4-dien-1-yl-7-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(4-phenylquinazolin-2-yl)-[1,3]oxazolo[5,4-a]carbazole (PubChem CID 144788426) has the molecular formula C54H39N5O and a molecular weight of 773.94 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-7-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(4-phenylquinazolin-2-yl)-[1,3]oxazolo[5,4-a]carbazole.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-7-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(4-phenylquinazolin-2-yl)-[1,3]oxazolo[5,4-a]carbazole
PubChem CID144788426
Molecular FormulaC54H39N5O
Molecular Weight773.94 g/mol
Exact Mass773.32
IUPAC Name2-cyclohexa-2,4-dien-1-yl-7-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(4-phenylquinazolin-2-yl)-[1,3]oxazolo[5,4-a]carbazole
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccc5nc(C6C=CC=CC6)oc5c3n4-c3nc(-c4ccccc4)c4ccccc4n3)cc21
InChIInChI=1S/C54H39N5O/c1-54(2)42-23-13-15-25-47(42)58(38-20-10-5-11-21-38)48-31-27-37(33-43(48)54)36-26-30-46-41(32-36)39-28-29-45-51(60-52(55-45)35-18-8-4-9-19-35)50(39)59(46)53-56-44-24-14-12-22-40(44)49(57-53)34-16-6-3-7-17-34/h3-18,20-33,35H,19H2,1-2H3
InChIKeyXNMPHPHJEOOJJA-UHFFFAOYSA-N
XLogP13.91
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.94
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-cyclohexa-2,4-dien-1-yl-7-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(4-phenylquinazolin-2-yl)-[1,3]oxazolo[5,4-a]carbazole 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

8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431410
5-(9,9-dimethyl-10-phenylacridin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 67326458
3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 90050449
11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431604
10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole
CID 134431272
7,7-dimethyl-3-phenyl-12-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)quinazolin-2-yl]indeno[1,2-a]carbazole
CID 144543478
10-[3-[6-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-9,9-dimethyl-2,7-diphenylacridine
CID 146581785
2-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-7,7-dimethyl-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 130412652
7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole
CID 131998839
2-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenyl-7-(4-phenylquinazolin-2-yl)acridine
CID 134579023
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
2-(9,9-dimethyl-10-phenylacridin-2-yl)-10,10-dimethyl-11-phenylindolo[1,2-a]indole
CID 70911908

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-7-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(4-phenylquinazolin-2-yl)-[1,3]oxazolo[5,4-a]carbazole?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-7-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(4-phenylquinazolin-2-yl)-[1,3]oxazolo[5,4-a]carbazole (CID 144788426) is 2-cyclohexa-2,4-dien-1-yl-7-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(4-phenylquinazolin-2-yl)-[1,3]oxazolo[5,4-a]carbazole.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-7-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(4-phenylquinazolin-2-yl)-[1,3]oxazolo[5,4-a]carbazole?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-7-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(4-phenylquinazolin-2-yl)-[1,3]oxazolo[5,4-a]carbazole is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccc5nc(C6C=CC=CC6)oc5c3n4-c3nc(-c4ccccc4)c4ccccc4n3)cc21.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-7-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(4-phenylquinazolin-2-yl)-[1,3]oxazolo[5,4-a]carbazole?
The InChIKey is XNMPHPHJEOOJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39N5O/c1-54(2)42-23-13-15-25-47(42)58(38-20-10-5-11-21-38)48-31-27-37(33-43(48)54)36-26-30-46-41(32-36)39-28-29-45-51(60-52(55-45)35-18-8-4-9-19-35)50(39)59(46)53-56-44-24-14-12-22-40(44)49(57-53)34-16-6-3-7-17-34/h3-18,20-33,35H,19H2,1-2H3.
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-7-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(4-phenylquinazolin-2-yl)-[1,3]oxazolo[5,4-a]carbazole?
2-cyclohexa-2,4-dien-1-yl-7-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(4-phenylquinazolin-2-yl)-[1,3]oxazolo[5,4-a]carbazole has a molecular weight of 773.94 g/mol, XLogP of 13.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-7-(9,9-dimethyl-10-phenylacridin-2-yl)-10-(4-phenylquinazolin-2-yl)-[1,3]oxazolo[5,4-a]carbazole is sourced from PubChem (CID 144788426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).