N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[4-methyl-3-(6-phenyldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]phenyl]-3-naphthalen-1-ylaniline

C59H45NO — CID 170229465

IUPACN-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[4-methyl-3-(6-phenyldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]phenyl]-3-naphthalen-1-ylaniline
SMILESCC1C=CC(c2ccc(N(c3ccc(C4=CC=CCC4)cc3)c3cccc(-c4cccc5ccccc45)c3)cc2)=CC1c1cccc2oc3c(-c4ccccc4)cccc3c12
InChIInChI=1S/C59H45NO/c1-40-28-29-46(39-56(40)54-25-13-27-57-58(54)55-26-12-24-53(59(55)61-57)45-16-6-3-7-17-45)43-32-36-49(37-33-43)60(48-34-30-42(31-35-48)41-14-4-2-5-15-41)50-21-10-20-47(38-50)52-23-11-19-44-18-8-9-22-51(44)52/h2-4,6-14,16-40,56H,5,15H2,1H3
InChIKeyMYFRWQIYQACIFW-UHFFFAOYSA-N
MW784.01 g/mol
LogP16.65
Rot. Bonds8

About N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[4-methyl-3-(6-phenyldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]phenyl]-3-naphthalen-1-ylaniline

N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[4-methyl-3-(6-phenyldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]phenyl]-3-naphthalen-1-ylaniline (PubChem CID 170229465) has the molecular formula C59H45NO and a molecular weight of 784.01 g/mol. Its IUPAC name is N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[4-methyl-3-(6-phenyldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]phenyl]-3-naphthalen-1-ylaniline.

Molecular Properties

Compound NameN-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[4-methyl-3-(6-phenyldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]phenyl]-3-naphthalen-1-ylaniline
PubChem CID170229465
Molecular FormulaC59H45NO
Molecular Weight784.01 g/mol
Exact Mass783.35
IUPAC NameN-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[4-methyl-3-(6-phenyldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]phenyl]-3-naphthalen-1-ylaniline
SMILESCC1C=CC(c2ccc(N(c3ccc(C4=CC=CCC4)cc3)c3cccc(-c4cccc5ccccc45)c3)cc2)=CC1c1cccc2oc3c(-c4ccccc4)cccc3c12
InChIInChI=1S/C59H45NO/c1-40-28-29-46(39-56(40)54-25-13-27-57-58(54)55-26-12-24-53(59(55)61-57)45-16-6-3-7-17-45)43-32-36-49(37-33-43)60(48-34-30-42(31-35-48)41-14-4-2-5-15-41)50-21-10-20-47(38-50)52-23-11-19-44-18-8-9-22-51(44)52/h2-4,6-14,16-40,56H,5,15H2,1H3
InChIKeyMYFRWQIYQACIFW-UHFFFAOYSA-N
XLogP16.65
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.01
LogP ≤ 516.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[4-methyl-3-(6-phenyldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]phenyl]-3-naphthalen-1-ylaniline with MolForge

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Related Compounds

3-[4-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-N,N-bis(4-phenylphenyl)aniline
CID 170297555
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
N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 121296696
N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168804297
3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 164831619
3-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 167329594
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
4-(4a,9b-dihydrodibenzofuran-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 121321591
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,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N,N-bis[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(2-phenylphenyl)aniline;N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 161497099

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[4-methyl-3-(6-phenyldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]phenyl]-3-naphthalen-1-ylaniline?
The IUPAC name of N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[4-methyl-3-(6-phenyldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]phenyl]-3-naphthalen-1-ylaniline (CID 170229465) is N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[4-methyl-3-(6-phenyldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]phenyl]-3-naphthalen-1-ylaniline.
What is the SMILES notation for N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[4-methyl-3-(6-phenyldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]phenyl]-3-naphthalen-1-ylaniline?
The canonical SMILES for N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[4-methyl-3-(6-phenyldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]phenyl]-3-naphthalen-1-ylaniline is CC1C=CC(c2ccc(N(c3ccc(C4=CC=CCC4)cc3)c3cccc(-c4cccc5ccccc45)c3)cc2)=CC1c1cccc2oc3c(-c4ccccc4)cccc3c12.
What is the InChIKey of N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[4-methyl-3-(6-phenyldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]phenyl]-3-naphthalen-1-ylaniline?
The InChIKey is MYFRWQIYQACIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H45NO/c1-40-28-29-46(39-56(40)54-25-13-27-57-58(54)55-26-12-24-53(59(55)61-57)45-16-6-3-7-17-45)43-32-36-49(37-33-43)60(48-34-30-42(31-35-48)41-14-4-2-5-15-41)50-21-10-20-47(38-50)52-23-11-19-44-18-8-9-22-51(44)52/h2-4,6-14,16-40,56H,5,15H2,1H3.
What are the key properties of N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[4-methyl-3-(6-phenyldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]phenyl]-3-naphthalen-1-ylaniline?
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[4-methyl-3-(6-phenyldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]phenyl]-3-naphthalen-1-ylaniline has a molecular weight of 784.01 g/mol, XLogP of 16.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[4-methyl-3-(6-phenyldibenzofuran-1-yl)cyclohexa-1,5-dien-1-yl]phenyl]-3-naphthalen-1-ylaniline is sourced from PubChem (CID 170229465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).