4-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-dibenzofuran-2-ylphenyl)aniline

C48H35NO2 — CID 144583029

IUPAC4-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-dibenzofuran-2-ylphenyl)aniline
SMILESC1=CCC(c2ccc(N(C3=CCC(c4ccc5oc6ccccc6c5c4)C=C3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc2)C=C1
InChIInChI=1S/C48H35NO2/c1-2-8-32(9-3-1)33-14-22-38(23-15-33)49(39-24-16-34(17-25-39)36-20-28-47-43(30-36)41-10-4-6-12-45(41)50-47)40-26-18-35(19-27-40)37-21-29-48-44(31-37)42-11-5-7-13-46(42)51-48/h1-8,10-18,20-32,35H,9,19H2
InChIKeyRSORIAULGXVCIQ-UHFFFAOYSA-N
MW657.81 g/mol
LogP13.52
Rot. Bonds6

About 4-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-dibenzofuran-2-ylphenyl)aniline

4-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-dibenzofuran-2-ylphenyl)aniline (PubChem CID 144583029) has the molecular formula C48H35NO2 and a molecular weight of 657.81 g/mol. Its IUPAC name is 4-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-dibenzofuran-2-ylphenyl)aniline.

Molecular Properties

Compound Name4-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-dibenzofuran-2-ylphenyl)aniline
PubChem CID144583029
Molecular FormulaC48H35NO2
Molecular Weight657.81 g/mol
Exact Mass657.27
IUPAC Name4-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-dibenzofuran-2-ylphenyl)aniline
SMILESC1=CCC(c2ccc(N(C3=CCC(c4ccc5oc6ccccc6c5c4)C=C3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc2)C=C1
InChIInChI=1S/C48H35NO2/c1-2-8-32(9-3-1)33-14-22-38(23-15-33)49(39-24-16-34(17-25-39)36-20-28-47-43(30-36)41-10-4-6-12-45(41)50-47)40-26-18-35(19-27-40)37-21-29-48-44(31-37)42-11-5-7-13-46(42)51-48/h1-8,10-18,20-32,35H,9,19H2
InChIKeyRSORIAULGXVCIQ-UHFFFAOYSA-N
XLogP13.52
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.81
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-dibenzofuran-2-ylphenyl)aniline 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-cyclohexa-2,4-dien-1-yl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 58569514
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
CID 167114371
6-cyclohexa-2,4-dien-1-yl-12,18-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
CID 71059027
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(6-phenyldibenzofuran-2-yl)aniline
CID 129311289
18-[4-[4-(N-dibenzofuran-4-ylanilino)cyclohexa-2,4-dien-1-yl]phenyl]-N,N-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-5-amine
CID 122677274
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
CID 58510590
4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118296562
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
2-(4-cyclohexa-2,4-dien-1-ylphenyl)-4-(2-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 170009511
N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]dibenzofuran-2-amine
CID 145129713
7-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-7-N,17-N-bis(2-phenylphenyl)-17-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 164779502
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 59022088

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-dibenzofuran-2-ylphenyl)aniline?
The IUPAC name of 4-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-dibenzofuran-2-ylphenyl)aniline (CID 144583029) is 4-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-dibenzofuran-2-ylphenyl)aniline.
What is the SMILES notation for 4-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-dibenzofuran-2-ylphenyl)aniline?
The canonical SMILES for 4-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-dibenzofuran-2-ylphenyl)aniline is C1=CCC(c2ccc(N(C3=CCC(c4ccc5oc6ccccc6c5c4)C=C3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)cc2)C=C1.
What is the InChIKey of 4-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-dibenzofuran-2-ylphenyl)aniline?
The InChIKey is RSORIAULGXVCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35NO2/c1-2-8-32(9-3-1)33-14-22-38(23-15-33)49(39-24-16-34(17-25-39)36-20-28-47-43(30-36)41-10-4-6-12-45(41)50-47)40-26-18-35(19-27-40)37-21-29-48-44(31-37)42-11-5-7-13-46(42)51-48/h1-8,10-18,20-32,35H,9,19H2.
What are the key properties of 4-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-dibenzofuran-2-ylphenyl)aniline?
4-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-dibenzofuran-2-ylphenyl)aniline has a molecular weight of 657.81 g/mol, XLogP of 13.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-dibenzofuran-2-ylphenyl)aniline is sourced from PubChem (CID 144583029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).