4-(8-dibenzofuran-4-yl-7,7-dimethylbenzo[a]phenalen-1-yl)-N,N-diphenylaniline

C49H35NO — CID 167232184

IUPAC4-(8-dibenzofuran-4-yl-7,7-dimethylbenzo[a]phenalen-1-yl)-N,N-diphenylaniline
SMILESCC1(C)c2c(-c3cccc4c3oc3ccccc34)cccc2-c2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc3cccc1c23
InChIInChI=1S/C49H35NO/c1-49(2)43-24-11-14-33-28-31-37(32-26-29-36(30-27-32)50(34-15-5-3-6-16-34)35-17-7-4-8-18-35)46(45(33)43)42-23-12-20-39(47(42)49)41-22-13-21-40-38-19-9-10-25-44(38)51-48(40)41/h3-31H,1-2H3
InChIKeyBUAPWLYZJQVSIO-UHFFFAOYSA-N
MW653.83 g/mol
LogP13.85
Rot. Bonds5

About 4-(8-dibenzofuran-4-yl-7,7-dimethylbenzo[a]phenalen-1-yl)-N,N-diphenylaniline

4-(8-dibenzofuran-4-yl-7,7-dimethylbenzo[a]phenalen-1-yl)-N,N-diphenylaniline (PubChem CID 167232184) has the molecular formula C49H35NO and a molecular weight of 653.83 g/mol. Its IUPAC name is 4-(8-dibenzofuran-4-yl-7,7-dimethylbenzo[a]phenalen-1-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(8-dibenzofuran-4-yl-7,7-dimethylbenzo[a]phenalen-1-yl)-N,N-diphenylaniline
PubChem CID167232184
Molecular FormulaC49H35NO
Molecular Weight653.83 g/mol
Exact Mass653.27
IUPAC Name4-(8-dibenzofuran-4-yl-7,7-dimethylbenzo[a]phenalen-1-yl)-N,N-diphenylaniline
SMILESCC1(C)c2c(-c3cccc4c3oc3ccccc34)cccc2-c2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc3cccc1c23
InChIInChI=1S/C49H35NO/c1-49(2)43-24-11-14-33-28-31-37(32-26-29-36(30-27-32)50(34-15-5-3-6-16-34)35-17-7-4-8-18-35)46(45(33)43)42-23-12-20-39(47(42)49)41-22-13-21-40-38-19-9-10-25-44(38)51-48(40)41/h3-31H,1-2H3
InChIKeyBUAPWLYZJQVSIO-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.83
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(8-dibenzofuran-4-yl-7,7-dimethylbenzo[a]phenalen-1-yl)-N,N-diphenylaniline 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

4-(2-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-phenyldibenzofuran-1-amine
CID 176824569
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenanthren-4-ylphenyl)fluoren-2-amine
CID 118369468
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethylbenzo[a]fluoren-6-amine
CID 164929447
N-(4-dibenzofuran-4-ylphenyl)-N-(3-fluoranthen-1-ylphenyl)-9,9-dimethylfluoren-4-amine
CID 139499277
N-(7,7-dimethyl-1-phenanthren-9-ylbenzo[a]phenalen-8-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167232265
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-phenylfluoreno[1,2-b][1]benzofuran-2-amine
CID 146437090
N-(4-dibenzofuran-4-ylphenyl)-N-phenyl-4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]aniline
CID 155095551
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-[4-(4,4-dimethyl-3-phenylindeno[1,2-c]thiophen-1-yl)phenyl]aniline
CID 167352694
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634

Frequently Asked Questions

What is the IUPAC name of 4-(8-dibenzofuran-4-yl-7,7-dimethylbenzo[a]phenalen-1-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(8-dibenzofuran-4-yl-7,7-dimethylbenzo[a]phenalen-1-yl)-N,N-diphenylaniline (CID 167232184) is 4-(8-dibenzofuran-4-yl-7,7-dimethylbenzo[a]phenalen-1-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(8-dibenzofuran-4-yl-7,7-dimethylbenzo[a]phenalen-1-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(8-dibenzofuran-4-yl-7,7-dimethylbenzo[a]phenalen-1-yl)-N,N-diphenylaniline is CC1(C)c2c(-c3cccc4c3oc3ccccc34)cccc2-c2c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc3cccc1c23.
What is the InChIKey of 4-(8-dibenzofuran-4-yl-7,7-dimethylbenzo[a]phenalen-1-yl)-N,N-diphenylaniline?
The InChIKey is BUAPWLYZJQVSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35NO/c1-49(2)43-24-11-14-33-28-31-37(32-26-29-36(30-27-32)50(34-15-5-3-6-16-34)35-17-7-4-8-18-35)46(45(33)43)42-23-12-20-39(47(42)49)41-22-13-21-40-38-19-9-10-25-44(38)51-48(40)41/h3-31H,1-2H3.
What are the key properties of 4-(8-dibenzofuran-4-yl-7,7-dimethylbenzo[a]phenalen-1-yl)-N,N-diphenylaniline?
4-(8-dibenzofuran-4-yl-7,7-dimethylbenzo[a]phenalen-1-yl)-N,N-diphenylaniline has a molecular weight of 653.83 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-dibenzofuran-4-yl-7,7-dimethylbenzo[a]phenalen-1-yl)-N,N-diphenylaniline is sourced from PubChem (CID 167232184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).