N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,8-dihydrodibenzofuran-2-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine

C60H44N2O2 — CID 138495094

IUPACN-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,8-dihydrodibenzofuran-2-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESC1=CC(c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6oc7ccccc7c6c5)cc4)cc3)c3ccc4oc5c(c4c3)=CCCC=5)cc2)=CCC1
InChIInChI=1S/C60H44N2O2/c1-3-11-41(12-4-1)43-19-27-47(28-20-43)61(51-35-37-59-55(39-51)53-15-7-9-17-57(53)63-59)49-31-23-45(24-32-49)46-25-33-50(34-26-46)62(48-29-21-44(22-30-48)42-13-5-2-6-14-42)52-36-38-60-56(40-52)54-16-8-10-18-58(54)64-60/h1,3-5,7,9,11-40H,2,6,8,10H2
InChIKeyZPJKNCPSFNCURS-UHFFFAOYSA-N
MW825.02 g/mol
LogP15.69
Rot. Bonds9

About N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,8-dihydrodibenzofuran-2-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine

N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,8-dihydrodibenzofuran-2-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 138495094) has the molecular formula C60H44N2O2 and a molecular weight of 825.02 g/mol. Its IUPAC name is N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,8-dihydrodibenzofuran-2-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,8-dihydrodibenzofuran-2-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID138495094
Molecular FormulaC60H44N2O2
Molecular Weight825.02 g/mol
Exact Mass824.34
IUPAC NameN-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,8-dihydrodibenzofuran-2-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESC1=CC(c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6oc7ccccc7c6c5)cc4)cc3)c3ccc4oc5c(c4c3)=CCCC=5)cc2)=CCC1
InChIInChI=1S/C60H44N2O2/c1-3-11-41(12-4-1)43-19-27-47(28-20-43)61(51-35-37-59-55(39-51)53-15-7-9-17-57(53)63-59)49-31-23-45(24-32-49)46-25-33-50(34-26-46)62(48-29-21-44(22-30-48)42-13-5-2-6-14-42)52-36-38-60-56(40-52)54-16-8-10-18-58(54)64-60/h1,3-5,7,9,11-40H,2,6,8,10H2
InChIKeyZPJKNCPSFNCURS-UHFFFAOYSA-N
XLogP15.69
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.02
LogP ≤ 515.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,8-dihydrodibenzofuran-2-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine with MolForge

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Related Compounds

N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605058
7-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-1-yl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095099
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
N-dibenzofuran-2-yl-5-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 170301400
N-(4-chlorophenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 142730139

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,8-dihydrodibenzofuran-2-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,8-dihydrodibenzofuran-2-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 138495094) is N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,8-dihydrodibenzofuran-2-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,8-dihydrodibenzofuran-2-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,8-dihydrodibenzofuran-2-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine is C1=CC(c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6oc7ccccc7c6c5)cc4)cc3)c3ccc4oc5c(c4c3)=CCCC=5)cc2)=CCC1.
What is the InChIKey of N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,8-dihydrodibenzofuran-2-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is ZPJKNCPSFNCURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2O2/c1-3-11-41(12-4-1)43-19-27-47(28-20-43)61(51-35-37-59-55(39-51)53-15-7-9-17-57(53)63-59)49-31-23-45(24-32-49)46-25-33-50(34-26-46)62(48-29-21-44(22-30-48)42-13-5-2-6-14-42)52-36-38-60-56(40-52)54-16-8-10-18-58(54)64-60/h1,3-5,7,9,11-40H,2,6,8,10H2.
What are the key properties of N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,8-dihydrodibenzofuran-2-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine?
N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,8-dihydrodibenzofuran-2-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 825.02 g/mol, XLogP of 15.69, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-cyclohexa-1,5-dien-1-yl-N-(7,8-dihydrodibenzofuran-2-yl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 138495094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).