N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline

C58H43NO — CID 144582985

IUPACN-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
SMILESC1=CC(c2ccc(-c3ccccc3)cc2)CC=C1c1ccc(N(C2=CC=C(c3cccc4c3oc3ccccc34)CC2)c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C58H43NO/c1-2-10-40(11-3-1)41-20-22-42(23-21-41)43-24-26-44(27-25-43)45-28-34-49(35-29-45)59(50-36-30-47(31-37-50)53-16-8-13-46-12-4-5-14-52(46)53)51-38-32-48(33-39-51)54-17-9-18-56-55-15-6-7-19-57(55)60-58(54)56/h1-24,26-32,34-38,43H,25,33,39H2
InChIKeyZGZXPYYNDCQSPE-UHFFFAOYSA-N
MW769.99 g/mol
LogP16.10
Rot. Bonds8

About N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline

N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline (PubChem CID 144582985) has the molecular formula C58H43NO and a molecular weight of 769.99 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
PubChem CID144582985
Molecular FormulaC58H43NO
Molecular Weight769.99 g/mol
Exact Mass769.33
IUPAC NameN-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
SMILESC1=CC(c2ccc(-c3ccccc3)cc2)CC=C1c1ccc(N(C2=CC=C(c3cccc4c3oc3ccccc34)CC2)c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C58H43NO/c1-2-10-40(11-3-1)41-20-22-42(23-21-41)43-24-26-44(27-25-43)45-28-34-49(35-29-45)59(50-36-30-47(31-37-50)53-16-8-13-46-12-4-5-14-52(46)53)51-38-32-48(33-39-51)54-17-9-18-56-55-15-6-7-19-57(55)60-58(54)56/h1-24,26-32,34-38,43H,25,33,39H2
InChIKeyZGZXPYYNDCQSPE-UHFFFAOYSA-N
XLogP16.10
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.99
LogP ≤ 516.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline with MolForge

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Related Compounds

3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
CID 167114371
N-(4-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-[4-(N-(4-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
CID 143462430
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[3-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]aniline
CID 129311258
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 139393698
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017
N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 144623792
2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine
CID 167113778
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
4-(4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 134194276

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline (CID 144582985) is N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline is C1=CC(c2ccc(-c3ccccc3)cc2)CC=C1c1ccc(N(C2=CC=C(c3cccc4c3oc3ccccc34)CC2)c2ccc(-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline?
The InChIKey is ZGZXPYYNDCQSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43NO/c1-2-10-40(11-3-1)41-20-22-42(23-21-41)43-24-26-44(27-25-43)45-28-34-49(35-29-45)59(50-36-30-47(31-37-50)53-16-8-13-46-12-4-5-14-52(46)53)51-38-32-48(33-39-51)54-17-9-18-56-55-15-6-7-19-57(55)60-58(54)56/h1-24,26-32,34-38,43H,25,33,39H2.
What are the key properties of N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline?
N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline has a molecular weight of 769.99 g/mol, XLogP of 16.10, 8 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-1,3-dien-1-yl)-N-(4-naphthalen-1-ylphenyl)-4-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline is sourced from PubChem (CID 144582985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).