4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[3-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]aniline

C54H39NO — CID 129311258

IUPAC4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[3-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]aniline
SMILESC1=C(c2ccccc2)CCC(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc(-c4cc(-c5ccccc5)c5oc6ccccc6c5c4)c3)cc2)=C1
InChIInChI=1S/C54H39NO/c1-4-13-38(14-5-1)40-23-29-47(30-24-40)55(48-31-25-41(26-32-48)39-15-6-2-7-16-39)49-33-27-42(28-34-49)44-19-12-20-45(35-44)46-36-51(43-17-8-3-9-18-43)54-52(37-46)50-21-10-11-22-53(50)56-54/h1-25,27-31,33-37H,26,32H2
InChIKeyYGQXLKXLLXJMBG-UHFFFAOYSA-N
MW717.91 g/mol
LogP15.15
Rot. Bonds8

About 4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[3-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]aniline

4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[3-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]aniline (PubChem CID 129311258) has the molecular formula C54H39NO and a molecular weight of 717.91 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[3-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[3-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]aniline
PubChem CID129311258
Molecular FormulaC54H39NO
Molecular Weight717.91 g/mol
Exact Mass717.30
IUPAC Name4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[3-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]aniline
SMILESC1=C(c2ccccc2)CCC(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc(-c4cc(-c5ccccc5)c5oc6ccccc6c5c4)c3)cc2)=C1
InChIInChI=1S/C54H39NO/c1-4-13-38(14-5-1)40-23-29-47(30-24-40)55(48-31-25-41(26-32-48)39-15-6-2-7-16-39)49-33-27-42(28-34-49)44-19-12-20-45(35-44)46-36-51(43-17-8-3-9-18-43)54-52(37-46)50-21-10-11-22-53(50)56-54/h1-25,27-31,33-37H,26,32H2
InChIKeyYGQXLKXLLXJMBG-UHFFFAOYSA-N
XLogP15.15
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.91
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 154947312
N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline
CID 167143304
4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline
CID 130208140
N-[4-(4-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-N,4-diphenylaniline
CID 140919148
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168805415
N-[4-[10-(4-phenylcyclohexa-1,3-dien-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 167143336
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N,4-diphenylaniline
CID 167132748
N-(3,5-diphenylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168804923
3-dibenzofuran-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
CID 170238372
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]aniline
CID 140919340

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[3-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]aniline?
The IUPAC name of 4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[3-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]aniline (CID 129311258) is 4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[3-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[3-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]aniline?
The canonical SMILES for 4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[3-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]aniline is C1=C(c2ccccc2)CCC(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3cccc(-c4cc(-c5ccccc5)c5oc6ccccc6c5c4)c3)cc2)=C1.
What is the InChIKey of 4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[3-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]aniline?
The InChIKey is YGQXLKXLLXJMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H39NO/c1-4-13-38(14-5-1)40-23-29-47(30-24-40)55(48-31-25-41(26-32-48)39-15-6-2-7-16-39)49-33-27-42(28-34-49)44-19-12-20-45(35-44)46-36-51(43-17-8-3-9-18-43)54-52(37-46)50-21-10-11-22-53(50)56-54/h1-25,27-31,33-37H,26,32H2.
What are the key properties of 4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[3-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]aniline?
4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[3-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]aniline has a molecular weight of 717.91 g/mol, XLogP of 15.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-[4-[3-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 129311258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).