7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine

C42H27NO — CID 88884869

IUPAC7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4ccccc4c3c2)cc1
InChIInChI=1S/C42H27NO/c1-3-12-29(13-4-1)43(30-14-5-2-6-15-30)31-23-25-36-35-24-22-28(26-39(35)33-16-7-8-17-34(33)40(36)27-31)32-19-11-20-38-37-18-9-10-21-41(37)44-42(32)38/h1-27H
InChIKeyKHCAFXDSDQYIOP-UHFFFAOYSA-N
MW561.68 g/mol
LogP12.18
Rot. Bonds4

About 7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine

7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine (PubChem CID 88884869) has the molecular formula C42H27NO and a molecular weight of 561.68 g/mol. Its IUPAC name is 7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine.

Molecular Properties

Compound Name7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine
PubChem CID88884869
Molecular FormulaC42H27NO
Molecular Weight561.68 g/mol
Exact Mass561.21
IUPAC Name7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4ccccc4c3c2)cc1
InChIInChI=1S/C42H27NO/c1-3-12-29(13-4-1)43(30-14-5-2-6-15-30)31-23-25-36-35-24-22-28(26-39(35)33-16-7-8-17-34(33)40(36)27-31)32-19-11-20-38-37-18-9-10-21-41(37)44-42(32)38/h1-27H
InChIKeyKHCAFXDSDQYIOP-UHFFFAOYSA-N
XLogP12.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.68
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-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

9-(8-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-diphenyldibenzofuran-2-amine
CID 174244522
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)triphenylen-2-amine
CID 118214662
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
N-(3-dibenzofuran-4-ylphenyl)-3-(9,10-diphenylphenanthren-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169063593
4-[4-(4-dibenzofuran-4-yl-N-triphenylen-2-ylanilino)phenyl]phenol
CID 118214703
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
3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 134198198
3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 118605105
N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 172502116
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]chrysen-3-amine
CID 171399261

Frequently Asked Questions

What is the IUPAC name of 7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine?
The IUPAC name of 7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine (CID 88884869) is 7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine.
What is the SMILES notation for 7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine?
The canonical SMILES for 7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine is c1ccc(N(c2ccccc2)c2ccc3c4ccc(-c5cccc6c5oc5ccccc56)cc4c4ccccc4c3c2)cc1.
What is the InChIKey of 7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine?
The InChIKey is KHCAFXDSDQYIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO/c1-3-12-29(13-4-1)43(30-14-5-2-6-15-30)31-23-25-36-35-24-22-28(26-39(35)33-16-7-8-17-34(33)40(36)27-31)32-19-11-20-38-37-18-9-10-21-41(37)44-42(32)38/h1-27H.
What are the key properties of 7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine?
7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine has a molecular weight of 561.68 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine is sourced from PubChem (CID 88884869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).