N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(2,6-dimethyl-4-phenylphenyl)triphenylen-2-amine

C50H37NO — CID 144583066

IUPACN-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(2,6-dimethyl-4-phenylphenyl)triphenylen-2-amine
SMILESCc1cc(-c2ccccc2)cc(C)c1N(c1ccc2c3ccccc3c3ccccc3c2c1)C1C=CC(c2cccc3c2oc2ccccc23)=CC1
InChIInChI=1S/C50H37NO/c1-32-29-36(34-13-4-3-5-14-34)30-33(2)49(32)51(38-27-28-44-42-17-7-6-15-40(42)41-16-8-9-18-43(41)47(44)31-38)37-25-23-35(24-26-37)39-20-12-21-46-45-19-10-11-22-48(45)52-50(39)46/h3-25,27-31,37H,26H2,1-2H3
InChIKeyOXYCNVMDHDGNCN-UHFFFAOYSA-N
MW667.85 g/mol
LogP13.88
Rot. Bonds5

About N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(2,6-dimethyl-4-phenylphenyl)triphenylen-2-amine

N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(2,6-dimethyl-4-phenylphenyl)triphenylen-2-amine (PubChem CID 144583066) has the molecular formula C50H37NO and a molecular weight of 667.85 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(2,6-dimethyl-4-phenylphenyl)triphenylen-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(2,6-dimethyl-4-phenylphenyl)triphenylen-2-amine
PubChem CID144583066
Molecular FormulaC50H37NO
Molecular Weight667.85 g/mol
Exact Mass667.29
IUPAC NameN-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(2,6-dimethyl-4-phenylphenyl)triphenylen-2-amine
SMILESCc1cc(-c2ccccc2)cc(C)c1N(c1ccc2c3ccccc3c3ccccc3c2c1)C1C=CC(c2cccc3c2oc2ccccc23)=CC1
InChIInChI=1S/C50H37NO/c1-32-29-36(34-13-4-3-5-14-34)30-33(2)49(32)51(38-27-28-44-42-17-7-6-15-40(42)41-16-8-9-18-43(41)47(44)31-38)37-25-23-35(24-26-37)39-20-12-21-46-45-19-10-11-22-48(45)52-50(39)46/h3-25,27-31,37H,26H2,1-2H3
InChIKeyOXYCNVMDHDGNCN-UHFFFAOYSA-N
XLogP13.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.85
LogP ≤ 513.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(2,6-dimethyl-4-phenylphenyl)triphenylen-2-amine 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

N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 134171841
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;4-N,4-N-diphenyl-1-N-[4-(N-[4-(N-phenylanilino)phenyl]anilino)cyclohexa-2,4-dien-1-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 158633743
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine
CID 170250079
12-N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-12-N-(4-dibenzofuran-4-ylphenyl)-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,12-diamine
CID 168855472
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138708428
N-[4-[3-[4-(N-dibenzofuran-2-ylanilino)phenyl]-5-phenylphenyl]cyclohexa-2,4-dien-1-yl]-N,9-diphenylcarbazol-3-amine
CID 90207063
N,N-bis(4-phenylphenyl)-28-oxaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-amine
CID 130465201
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
4-(4-butylphenyl)-N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline
CID 170128535
7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine
CID 88884869
4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
CID 144568493
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(2,6-dimethyl-4-phenylphenyl)triphenylen-2-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(2,6-dimethyl-4-phenylphenyl)triphenylen-2-amine (CID 144583066) is N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(2,6-dimethyl-4-phenylphenyl)triphenylen-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(2,6-dimethyl-4-phenylphenyl)triphenylen-2-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(2,6-dimethyl-4-phenylphenyl)triphenylen-2-amine is Cc1cc(-c2ccccc2)cc(C)c1N(c1ccc2c3ccccc3c3ccccc3c2c1)C1C=CC(c2cccc3c2oc2ccccc23)=CC1.
What is the InChIKey of N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(2,6-dimethyl-4-phenylphenyl)triphenylen-2-amine?
The InChIKey is OXYCNVMDHDGNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37NO/c1-32-29-36(34-13-4-3-5-14-34)30-33(2)49(32)51(38-27-28-44-42-17-7-6-15-40(42)41-16-8-9-18-43(41)47(44)31-38)37-25-23-35(24-26-37)39-20-12-21-46-45-19-10-11-22-48(45)52-50(39)46/h3-25,27-31,37H,26H2,1-2H3.
What are the key properties of N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(2,6-dimethyl-4-phenylphenyl)triphenylen-2-amine?
N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(2,6-dimethyl-4-phenylphenyl)triphenylen-2-amine has a molecular weight of 667.85 g/mol, XLogP of 13.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(2,6-dimethyl-4-phenylphenyl)triphenylen-2-amine is sourced from PubChem (CID 144583066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).