N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-[4-(3,6-diphenyl-9H-fluoren-9-yl)phenyl]phenyl]-4-phenylaniline

C61H47N — CID 167135724

IUPACN-(4-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-[4-(3,6-diphenyl-9H-fluoren-9-yl)phenyl]phenyl]-4-phenylaniline
SMILESC1=CCCC(C2=CCC(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(C5c6ccc(-c7ccccc7)cc6-c6cc(-c7ccccc7)ccc65)cc4)cc3)C=C2)=C1
InChIInChI=1S/C61H47N/c1-5-13-43(14-6-1)48-25-33-54(34-26-48)62(55-35-27-49(28-36-55)44-15-7-2-8-16-44)56-37-29-50(30-38-56)47-21-23-51(24-22-47)61-57-39-31-52(45-17-9-3-10-18-45)41-59(57)60-42-53(32-40-58(60)61)46-19-11-4-12-20-46/h1-7,9-15,17-35,37-42,55,61H,8,16,36H2
InChIKeyMSYLUWBQXWOLGW-UHFFFAOYSA-N
MW794.05 g/mol
LogP16.18
Rot. Bonds9

About N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-[4-(3,6-diphenyl-9H-fluoren-9-yl)phenyl]phenyl]-4-phenylaniline

N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-[4-(3,6-diphenyl-9H-fluoren-9-yl)phenyl]phenyl]-4-phenylaniline (PubChem CID 167135724) has the molecular formula C61H47N and a molecular weight of 794.05 g/mol. Its IUPAC name is N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-[4-(3,6-diphenyl-9H-fluoren-9-yl)phenyl]phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-(4-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-[4-(3,6-diphenyl-9H-fluoren-9-yl)phenyl]phenyl]-4-phenylaniline
PubChem CID167135724
Molecular FormulaC61H47N
Molecular Weight794.05 g/mol
Exact Mass793.37
IUPAC NameN-(4-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-[4-(3,6-diphenyl-9H-fluoren-9-yl)phenyl]phenyl]-4-phenylaniline
SMILESC1=CCCC(C2=CCC(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(C5c6ccc(-c7ccccc7)cc6-c6cc(-c7ccccc7)ccc65)cc4)cc3)C=C2)=C1
InChIInChI=1S/C61H47N/c1-5-13-43(14-6-1)48-25-33-54(34-26-48)62(55-35-27-49(28-36-55)44-15-7-2-8-16-44)56-37-29-50(30-38-56)47-21-23-51(24-22-47)61-57-39-31-52(45-17-9-3-10-18-45)41-59(57)60-42-53(32-40-58(60)61)46-19-11-4-12-20-46/h1-7,9-15,17-35,37-42,55,61H,8,16,36H2
InChIKeyMSYLUWBQXWOLGW-UHFFFAOYSA-N
XLogP16.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.05
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-[4-(3,6-diphenyl-9H-fluoren-9-yl)phenyl]phenyl]-4-phenylaniline with MolForge

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Related Compounds

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
4-cyclohexa-1,3-dien-1-yl-N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 170131651
5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)-2-[4-phenyl-2-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 139322280
4-cyclohexa-1,3-dien-1-yl-N-[4-(9-dibenzothiophen-4-yl-7,8-dihydrocarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 163576681
N-(4-benzo[c]phenanthren-5-ylcyclohexa-2,4-dien-1-yl)-N-cyclohexa-1,3-dien-1-yl-4-naphthalen-2-ylaniline
CID 170226556
N-[4-[6-(4-benzo[a]carbazol-11-ylphenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)aniline
CID 139339392
N-[4-[4-[4-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145063466
N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 134171841
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-5-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-8-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167253427
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
N-[4-(1,8-diazahexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2(7),3,5,9,11,13,15(22),16,18,20-decaen-4-yl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 167262278
9,9-dimethyl-2-N,2-N-diphenyl-7-N-(4-phenylcyclohexa-2,4-dien-1-yl)-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 167250657

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-[4-(3,6-diphenyl-9H-fluoren-9-yl)phenyl]phenyl]-4-phenylaniline?
The IUPAC name of N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-[4-(3,6-diphenyl-9H-fluoren-9-yl)phenyl]phenyl]-4-phenylaniline (CID 167135724) is N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-[4-(3,6-diphenyl-9H-fluoren-9-yl)phenyl]phenyl]-4-phenylaniline.
What is the SMILES notation for N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-[4-(3,6-diphenyl-9H-fluoren-9-yl)phenyl]phenyl]-4-phenylaniline?
The canonical SMILES for N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-[4-(3,6-diphenyl-9H-fluoren-9-yl)phenyl]phenyl]-4-phenylaniline is C1=CCCC(C2=CCC(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(C5c6ccc(-c7ccccc7)cc6-c6cc(-c7ccccc7)ccc65)cc4)cc3)C=C2)=C1.
What is the InChIKey of N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-[4-(3,6-diphenyl-9H-fluoren-9-yl)phenyl]phenyl]-4-phenylaniline?
The InChIKey is MSYLUWBQXWOLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47N/c1-5-13-43(14-6-1)48-25-33-54(34-26-48)62(55-35-27-49(28-36-55)44-15-7-2-8-16-44)56-37-29-50(30-38-56)47-21-23-51(24-22-47)61-57-39-31-52(45-17-9-3-10-18-45)41-59(57)60-42-53(32-40-58(60)61)46-19-11-4-12-20-46/h1-7,9-15,17-35,37-42,55,61H,8,16,36H2.
What are the key properties of N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-[4-(3,6-diphenyl-9H-fluoren-9-yl)phenyl]phenyl]-4-phenylaniline?
N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-[4-[4-(3,6-diphenyl-9H-fluoren-9-yl)phenyl]phenyl]-4-phenylaniline has a molecular weight of 794.05 g/mol, XLogP of 16.18, 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-2,4-dien-1-yl)-N-[4-[4-(3,6-diphenyl-9H-fluoren-9-yl)phenyl]phenyl]-4-phenylaniline is sourced from PubChem (CID 167135724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).