N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)-3-phenylcyclohexa-1,5-dien-1-yl]-3,4-diphenylaniline

C54H47N — CID 134194296

IUPACN-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)-3-phenylcyclohexa-1,5-dien-1-yl]-3,4-diphenylaniline
SMILESC1=CCCC(C2=CC=C(N(C3=CC(c4ccccc4)C(c4ccccc4C4C=CC=CC4)C=C3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)CC2)=C1
InChIInChI=1S/C54H47N/c1-6-18-40(19-7-1)41-30-32-46(33-31-41)55(47-34-36-50(43-22-10-3-11-23-43)53(38-47)44-24-12-4-13-25-44)48-35-37-52(54(39-48)45-26-14-5-15-27-45)51-29-17-16-28-49(51)42-20-8-2-9-21-42/h1-6,8-18,20,22-30,32,34-39,42,52,54H,7,19,21,31,33H2
InChIKeyAZMPFPJASXBWJQ-UHFFFAOYSA-N
MW709.98 g/mol
LogP14.33
Rot. Bonds9

About N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)-3-phenylcyclohexa-1,5-dien-1-yl]-3,4-diphenylaniline

N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)-3-phenylcyclohexa-1,5-dien-1-yl]-3,4-diphenylaniline (PubChem CID 134194296) has the molecular formula C54H47N and a molecular weight of 709.98 g/mol. Its IUPAC name is N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)-3-phenylcyclohexa-1,5-dien-1-yl]-3,4-diphenylaniline.

Molecular Properties

Compound NameN-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)-3-phenylcyclohexa-1,5-dien-1-yl]-3,4-diphenylaniline
PubChem CID134194296
Molecular FormulaC54H47N
Molecular Weight709.98 g/mol
Exact Mass709.37
IUPAC NameN-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)-3-phenylcyclohexa-1,5-dien-1-yl]-3,4-diphenylaniline
SMILESC1=CCCC(C2=CC=C(N(C3=CC(c4ccccc4)C(c4ccccc4C4C=CC=CC4)C=C3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)CC2)=C1
InChIInChI=1S/C54H47N/c1-6-18-40(19-7-1)41-30-32-46(33-31-41)55(47-34-36-50(43-22-10-3-11-23-43)53(38-47)44-24-12-4-13-25-44)48-35-37-52(54(39-48)45-26-14-5-15-27-45)51-29-17-16-28-49(51)42-20-8-2-9-21-42/h1-6,8-18,20,22-30,32,34-39,42,52,54H,7,19,21,31,33H2
InChIKeyAZMPFPJASXBWJQ-UHFFFAOYSA-N
XLogP14.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.98
LogP ≤ 514.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)-3-phenylcyclohexa-1,5-dien-1-yl]-3,4-diphenylaniline with MolForge

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Related Compounds

4-(9,9a-dihydrodibenzothiophen-4-yl)-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzothiophen-4-yl-3-phenylcyclohexa-1,5-dien-1-yl)-3-phenylaniline;N-[4-[(1E,3Z)-4-(1-benzofuran-3-yl)buta-1,3-dienyl]-3-phenylcyclohexa-1,5-dien-1-yl]-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-dibenzofuran-4-yl-3-phenylaniline;N-(3,4-diphenylcyclohexa-1,5-dien-1-yl)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-3,4-diphenylaniline
CID 158977115
4-cyclohexa-2,4-dien-1-yl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]aniline
CID 145474495
N-[4-[4-[4-(N-(3-benzylphenyl)-4-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-3-(cyclohexa-1,3-dien-1-ylmethyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
CID 166978744
N-[2-(5-cyclohexa-2,4-dien-1-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 167297637
4-[4-(N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 170235681
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-phenyl-N-(3-phenylcyclohexa-1,5-dien-1-yl)dibenzofuran-1-amine;methanamine
CID 142352999
10-N-(4-cyclohexa-2,4-dien-1-yl-3-phenylphenyl)-9-N-(3,4-diphenylphenyl)-2-phenyl-9-N,10-N-bis(3-phenylphenyl)-6-propan-2-ylanthracene-9,10-diamine
CID 89378193
N-(4-bromophenyl)-N-[4-(3-cyclohexa-2,4-dien-1-yl-4-phenylphenyl)phenyl]-4-phenylaniline
CID 170214346
4-cyclohexa-1,3-dien-1-yl-2-(1,2-dihydronaphthalen-1-yl)-N-phenyl-N-[3-phenyl-4-(2-phenylbenzo[e][1,3]benzoxazol-5-yl)phenyl]aniline
CID 170424885
N-[4-(4a,8a-dihydronaphthalen-1-yl)cyclohexa-1,3-dien-1-yl]-2-[3-[2-(N-cyclohexa-1,3-dien-1-yl-4-naphthalen-1-ylanilino)phenyl]cyclohexa-2,4-dien-1-yl]-N-phenylaniline
CID 155273837
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[3-cyclohexa-1,3-dien-1-yl-4-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 134194351
5-cyclohexa-1,3-dien-1-yl-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170282180

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)-3-phenylcyclohexa-1,5-dien-1-yl]-3,4-diphenylaniline?
The IUPAC name of N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)-3-phenylcyclohexa-1,5-dien-1-yl]-3,4-diphenylaniline (CID 134194296) is N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)-3-phenylcyclohexa-1,5-dien-1-yl]-3,4-diphenylaniline.
What is the SMILES notation for N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)-3-phenylcyclohexa-1,5-dien-1-yl]-3,4-diphenylaniline?
The canonical SMILES for N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)-3-phenylcyclohexa-1,5-dien-1-yl]-3,4-diphenylaniline is C1=CCCC(C2=CC=C(N(C3=CC(c4ccccc4)C(c4ccccc4C4C=CC=CC4)C=C3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)CC2)=C1.
What is the InChIKey of N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)-3-phenylcyclohexa-1,5-dien-1-yl]-3,4-diphenylaniline?
The InChIKey is AZMPFPJASXBWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H47N/c1-6-18-40(19-7-1)41-30-32-46(33-31-41)55(47-34-36-50(43-22-10-3-11-23-43)53(38-47)44-24-12-4-13-25-44)48-35-37-52(54(39-48)45-26-14-5-15-27-45)51-29-17-16-28-49(51)42-20-8-2-9-21-42/h1-6,8-18,20,22-30,32,34-39,42,52,54H,7,19,21,31,33H2.
What are the key properties of N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)-3-phenylcyclohexa-1,5-dien-1-yl]-3,4-diphenylaniline?
N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)-3-phenylcyclohexa-1,5-dien-1-yl]-3,4-diphenylaniline has a molecular weight of 709.98 g/mol, XLogP of 14.33, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)-3-phenylcyclohexa-1,5-dien-1-yl]-3,4-diphenylaniline is sourced from PubChem (CID 134194296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).