3-[3-[3-[[4-(4a,9b-dihydrodibenzofuran-4-yl)cyclohexa-1,3-dien-1-yl]-cyclohexa-1,5-dien-1-ylamino]cyclohexa-1,5-dien-1-yl]phenyl]-N-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-4-ylphenyl)aniline

C66H54N2O2 — CID 130461976

IUPAC3-[3-[3-[[4-(4a,9b-dihydrodibenzofuran-4-yl)cyclohexa-1,3-dien-1-yl]-cyclohexa-1,5-dien-1-ylamino]cyclohexa-1,5-dien-1-yl]phenyl]-N-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-4-ylphenyl)aniline
SMILESC1=CCC(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2cccc(-c3cccc(C4=CC(N(C5=CCCC=C5)C5=CC=C(C6=CC=CC7c8ccccc8OC67)CC5)CC=C4)c3)c2)C=C1
InChIInChI=1S/C66H54N2O2/c1-3-20-51(21-4-1)67(53-38-34-45(35-39-53)57-28-14-30-61-59-26-7-9-32-63(59)69-65(57)61)55-24-12-18-49(43-55)47-16-11-17-48(42-47)50-19-13-25-56(44-50)68(52-22-5-2-6-23-52)54-40-36-46(37-41-54)58-29-15-31-62-60-27-8-10-33-64(60)70-66(58)62/h1,3-5,7-20,22-24,26-36,38-40,42-44,51,56,62,66H,2,6,21,25,37,41H2
InChIKeyVCCKUBJLNRROAR-UHFFFAOYSA-N
MW907.17 g/mol
LogP16.84
Rot. Bonds10

About 3-[3-[3-[[4-(4a,9b-dihydrodibenzofuran-4-yl)cyclohexa-1,3-dien-1-yl]-cyclohexa-1,5-dien-1-ylamino]cyclohexa-1,5-dien-1-yl]phenyl]-N-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-4-ylphenyl)aniline

3-[3-[3-[[4-(4a,9b-dihydrodibenzofuran-4-yl)cyclohexa-1,3-dien-1-yl]-cyclohexa-1,5-dien-1-ylamino]cyclohexa-1,5-dien-1-yl]phenyl]-N-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-4-ylphenyl)aniline (PubChem CID 130461976) has the molecular formula C66H54N2O2 and a molecular weight of 907.17 g/mol. Its IUPAC name is 3-[3-[3-[[4-(4a,9b-dihydrodibenzofuran-4-yl)cyclohexa-1,3-dien-1-yl]-cyclohexa-1,5-dien-1-ylamino]cyclohexa-1,5-dien-1-yl]phenyl]-N-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-4-ylphenyl)aniline.

Molecular Properties

Compound Name3-[3-[3-[[4-(4a,9b-dihydrodibenzofuran-4-yl)cyclohexa-1,3-dien-1-yl]-cyclohexa-1,5-dien-1-ylamino]cyclohexa-1,5-dien-1-yl]phenyl]-N-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-4-ylphenyl)aniline
PubChem CID130461976
Molecular FormulaC66H54N2O2
Molecular Weight907.17 g/mol
Exact Mass906.42
IUPAC Name3-[3-[3-[[4-(4a,9b-dihydrodibenzofuran-4-yl)cyclohexa-1,3-dien-1-yl]-cyclohexa-1,5-dien-1-ylamino]cyclohexa-1,5-dien-1-yl]phenyl]-N-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-4-ylphenyl)aniline
SMILESC1=CCC(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2cccc(-c3cccc(C4=CC(N(C5=CCCC=C5)C5=CC=C(C6=CC=CC7c8ccccc8OC67)CC5)CC=C4)c3)c2)C=C1
InChIInChI=1S/C66H54N2O2/c1-3-20-51(21-4-1)67(53-38-34-45(35-39-53)57-28-14-30-61-59-26-7-9-32-63(59)69-65(57)61)55-24-12-18-49(43-55)47-16-11-17-48(42-47)50-19-13-25-56(44-50)68(52-22-5-2-6-23-52)54-40-36-46(37-41-54)58-29-15-31-62-60-27-8-10-33-64(60)70-66(58)62/h1,3-5,7-20,22-24,26-36,38-40,42-44,51,56,62,66H,2,6,21,25,37,41H2
InChIKeyVCCKUBJLNRROAR-UHFFFAOYSA-N
XLogP16.84
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.17
LogP ≤ 516.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[3-[3-[[4-(4a,9b-dihydrodibenzofuran-4-yl)cyclohexa-1,3-dien-1-yl]-cyclohexa-1,5-dien-1-ylamino]cyclohexa-1,5-dien-1-yl]phenyl]-N-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-4-ylphenyl)aniline with MolForge

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Related Compounds

3-phenyl-N-[4-(10-phenyl-4a,11b-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-N-(3-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 167143567
4-(4a,9b-dihydrodibenzofuran-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 121321591
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-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 134171841
3-(6-cyclohexa-1,3-dien-1-yl-5a,9a-dihydrodibenzofuran-4-yl)-6-(6-phenyldibenzofuran-4-yl)-9H-carbazole
CID 88574118
1-N-cyclohexa-2,4-dien-1-yl-4-N-[4-(N-cyclohexa-1,5-dien-1-yl-3-methylanilino)phenyl]-1-N-(3-methylphenyl)-4-N-[4-(N-(3-methylphenyl)anilino)cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine
CID 140938297
N-[3-(6-cyclohexa-2,4-dien-1-yldibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 130241398
N-cyclohexa-1,5-dien-1-yl-N-cyclohexa-2,4-dien-1-yl-4-[(E)-2-[4-(4-phenylphenyl)phenyl]ethenyl]aniline
CID 89189838
3-(4a,9b-dihydrodibenzofuran-4-yl)-9-[6-(3-dibenzofuran-4-ylcarbazol-9-yl)-8,9-dihydrodibenzofuran-2-yl]carbazole
CID 163935646
N-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline
CID 163594248
N,3-di(cyclohexa-2,4-dien-1-yl)-N-[5-[10-[5-[10-[5-[cyclohexa-1,5-dien-1-yl-(3-phenylcyclohexa-1,3-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]-2,3-dihydroanthracen-9-yl]-6,7-dihydronaphthalen-1-yl]-2,3-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]aniline
CID 89218150
N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118148534

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[[4-(4a,9b-dihydrodibenzofuran-4-yl)cyclohexa-1,3-dien-1-yl]-cyclohexa-1,5-dien-1-ylamino]cyclohexa-1,5-dien-1-yl]phenyl]-N-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-4-ylphenyl)aniline?
The IUPAC name of 3-[3-[3-[[4-(4a,9b-dihydrodibenzofuran-4-yl)cyclohexa-1,3-dien-1-yl]-cyclohexa-1,5-dien-1-ylamino]cyclohexa-1,5-dien-1-yl]phenyl]-N-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-4-ylphenyl)aniline (CID 130461976) is 3-[3-[3-[[4-(4a,9b-dihydrodibenzofuran-4-yl)cyclohexa-1,3-dien-1-yl]-cyclohexa-1,5-dien-1-ylamino]cyclohexa-1,5-dien-1-yl]phenyl]-N-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-4-ylphenyl)aniline.
What is the SMILES notation for 3-[3-[3-[[4-(4a,9b-dihydrodibenzofuran-4-yl)cyclohexa-1,3-dien-1-yl]-cyclohexa-1,5-dien-1-ylamino]cyclohexa-1,5-dien-1-yl]phenyl]-N-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-4-ylphenyl)aniline?
The canonical SMILES for 3-[3-[3-[[4-(4a,9b-dihydrodibenzofuran-4-yl)cyclohexa-1,3-dien-1-yl]-cyclohexa-1,5-dien-1-ylamino]cyclohexa-1,5-dien-1-yl]phenyl]-N-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-4-ylphenyl)aniline is C1=CCC(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2cccc(-c3cccc(C4=CC(N(C5=CCCC=C5)C5=CC=C(C6=CC=CC7c8ccccc8OC67)CC5)CC=C4)c3)c2)C=C1.
What is the InChIKey of 3-[3-[3-[[4-(4a,9b-dihydrodibenzofuran-4-yl)cyclohexa-1,3-dien-1-yl]-cyclohexa-1,5-dien-1-ylamino]cyclohexa-1,5-dien-1-yl]phenyl]-N-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-4-ylphenyl)aniline?
The InChIKey is VCCKUBJLNRROAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H54N2O2/c1-3-20-51(21-4-1)67(53-38-34-45(35-39-53)57-28-14-30-61-59-26-7-9-32-63(59)69-65(57)61)55-24-12-18-49(43-55)47-16-11-17-48(42-47)50-19-13-25-56(44-50)68(52-22-5-2-6-23-52)54-40-36-46(37-41-54)58-29-15-31-62-60-27-8-10-33-64(60)70-66(58)62/h1,3-5,7-20,22-24,26-36,38-40,42-44,51,56,62,66H,2,6,21,25,37,41H2.
What are the key properties of 3-[3-[3-[[4-(4a,9b-dihydrodibenzofuran-4-yl)cyclohexa-1,3-dien-1-yl]-cyclohexa-1,5-dien-1-ylamino]cyclohexa-1,5-dien-1-yl]phenyl]-N-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-4-ylphenyl)aniline?
3-[3-[3-[[4-(4a,9b-dihydrodibenzofuran-4-yl)cyclohexa-1,3-dien-1-yl]-cyclohexa-1,5-dien-1-ylamino]cyclohexa-1,5-dien-1-yl]phenyl]-N-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-4-ylphenyl)aniline has a molecular weight of 907.17 g/mol, XLogP of 16.84, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[[4-(4a,9b-dihydrodibenzofuran-4-yl)cyclohexa-1,3-dien-1-yl]-cyclohexa-1,5-dien-1-ylamino]cyclohexa-1,5-dien-1-yl]phenyl]-N-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-4-ylphenyl)aniline is sourced from PubChem (CID 130461976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).