9-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)dibenzofuran-3-yl]carbazole

C38H25N3O — CID 170283279

IUPAC9-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)dibenzofuran-3-yl]carbazole
SMILESC1=CC2=C(c3ccccc3)N=C(c3cccc4oc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)NC2C=C1
InChIInChI=1S/C38H25N3O/c1-2-11-24(12-3-1)37-28-15-4-7-17-31(28)39-38(40-37)30-16-10-20-34-36(30)29-22-21-25(23-35(29)42-34)41-32-18-8-5-13-26(32)27-14-6-9-19-33(27)41/h1-23,31H,(H,39,40)
InChIKeyOLXNHGGDZJGHEX-UHFFFAOYSA-N
MW539.64 g/mol
LogP8.94
Rot. Bonds3

About 9-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)dibenzofuran-3-yl]carbazole

9-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)dibenzofuran-3-yl]carbazole (PubChem CID 170283279) has the molecular formula C38H25N3O and a molecular weight of 539.64 g/mol. Its IUPAC name is 9-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name9-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)dibenzofuran-3-yl]carbazole
PubChem CID170283279
Molecular FormulaC38H25N3O
Molecular Weight539.64 g/mol
Exact Mass539.20
IUPAC Name9-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)dibenzofuran-3-yl]carbazole
SMILESC1=CC2=C(c3ccccc3)N=C(c3cccc4oc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)NC2C=C1
InChIInChI=1S/C38H25N3O/c1-2-11-24(12-3-1)37-28-15-4-7-17-31(28)39-38(40-37)30-16-10-20-34-36(30)29-22-21-25(23-35(29)42-34)41-32-18-8-5-13-26(32)27-14-6-9-19-33(27)41/h1-23,31H,(H,39,40)
InChIKeyOLXNHGGDZJGHEX-UHFFFAOYSA-N
XLogP8.94
TPSA42.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 58.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)dibenzofuran-3-yl]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

3,6-diphenyl-9-[9-[1-(4-phenylphenyl)-4,4a-dihydroisoquinolin-3-yl]dibenzofuran-3-yl]carbazole
CID 166670204
12-[9-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 167200852
9-[9-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-2,7-diphenylcarbazole
CID 167200274
9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole
CID 146334011
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(4-phenylphenyl)dibenzofuran-3-yl]carbazole
CID 170081092
5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 146491311
9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole
CID 166962097
9-[15-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-yl]carbazole
CID 162781295
5-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]benzo[b]carbazole
CID 170253940
9-[9-(2-dibenzofuran-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole
CID 166961520
9-[3-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146266717
9-(6-dibenzofuran-1-yldibenzofuran-3-yl)carbazole
CID 170688633

Frequently Asked Questions

What is the IUPAC name of 9-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)dibenzofuran-3-yl]carbazole?
The IUPAC name of 9-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)dibenzofuran-3-yl]carbazole (CID 170283279) is 9-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 9-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)dibenzofuran-3-yl]carbazole?
The canonical SMILES for 9-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)dibenzofuran-3-yl]carbazole is C1=CC2=C(c3ccccc3)N=C(c3cccc4oc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)NC2C=C1.
What is the InChIKey of 9-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)dibenzofuran-3-yl]carbazole?
The InChIKey is OLXNHGGDZJGHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3O/c1-2-11-24(12-3-1)37-28-15-4-7-17-31(28)39-38(40-37)30-16-10-20-34-36(30)29-22-21-25(23-35(29)42-34)41-32-18-8-5-13-26(32)27-14-6-9-19-33(27)41/h1-23,31H,(H,39,40).
What are the key properties of 9-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)dibenzofuran-3-yl]carbazole?
9-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)dibenzofuran-3-yl]carbazole has a molecular weight of 539.64 g/mol, XLogP of 8.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(4-phenyl-1,8a-dihydroquinazolin-2-yl)dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 170283279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).