N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(naphthalen-1-ylmethyl)anilino]phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine

C57H48N2 — CID 143258012

IUPACN-cyclohexa-1,3-dien-1-yl-N-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(naphthalen-1-ylmethyl)anilino]phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine
SMILESC1=CCCC(N(C2=CCC(c3ccc(N(Cc4cccc5ccccc45)c4ccc(-c5ccc(C6C=CC=CC6)cc5)cc4)cc3)C=C2)c2cccc3ccccc23)=C1
InChIInChI=1S/C57H48N2/c1-3-13-42(14-4-1)43-25-27-44(28-26-43)45-29-35-51(36-30-45)58(41-50-19-11-17-48-15-7-9-22-55(48)50)52-37-31-46(32-38-52)47-33-39-54(40-34-47)59(53-20-5-2-6-21-53)57-24-12-18-49-16-8-10-23-56(49)57/h1-5,7-13,15-20,22-33,35-40,42,47H,6,14,21,34,41H2
InChIKeyWTPFJCWXGBZDTM-UHFFFAOYSA-N
MW761.03 g/mol
LogP15.27
Rot. Bonds10

About N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(naphthalen-1-ylmethyl)anilino]phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine

N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(naphthalen-1-ylmethyl)anilino]phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine (PubChem CID 143258012) has the molecular formula C57H48N2 and a molecular weight of 761.03 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(naphthalen-1-ylmethyl)anilino]phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(naphthalen-1-ylmethyl)anilino]phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine
PubChem CID143258012
Molecular FormulaC57H48N2
Molecular Weight761.03 g/mol
Exact Mass760.38
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(naphthalen-1-ylmethyl)anilino]phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine
SMILESC1=CCCC(N(C2=CCC(c3ccc(N(Cc4cccc5ccccc45)c4ccc(-c5ccc(C6C=CC=CC6)cc5)cc4)cc3)C=C2)c2cccc3ccccc23)=C1
InChIInChI=1S/C57H48N2/c1-3-13-42(14-4-1)43-25-27-44(28-26-43)45-29-35-51(36-30-45)58(41-50-19-11-17-48-15-7-9-22-55(48)50)52-37-31-46(32-38-52)47-33-39-54(40-34-47)59(53-20-5-2-6-21-53)57-24-12-18-49-16-8-10-23-56(49)57/h1-5,7-13,15-20,22-33,35-40,42,47H,6,14,21,34,41H2
InChIKeyWTPFJCWXGBZDTM-UHFFFAOYSA-N
XLogP15.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.03
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(naphthalen-1-ylmethyl)anilino]phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-cyclohexa-1,3-dien-1-yl-9-(2,3-dihydronaphthalen-1-yl)-10-naphthalen-1-yl-6-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)-2-N-(4-phenylphenyl)anthracene-2,6-diamine
CID 89189708
6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine
CID 89152667
N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine
CID 163564194
N-cyclohexa-1,3-dien-1-yl-N-(4-methylphenyl)naphthalen-1-amine
CID 129170977
4-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-dibenzofuran-2-ylphenyl)aniline
CID 144583029
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-(4,4a-dihydronaphthalen-1-yl)-N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]naphthalen-1-amine
CID 89065092
4-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118296562
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
6-N-(4-cyclohexa-2,4-dien-1-ylphenyl)-11-N-naphthalen-1-yl-6-N,11-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,11-diamine
CID 168855510
N-(4-cyclohexa-2,4-dien-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 90087282
N-[4-[4-[4-[(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-(4-phenylcyclohexa-1,5-dien-1-yl)amino]cyclohexa-2,4-dien-1-yl]-3-methylcyclohexa-1,5-dien-1-yl]phenyl]-N-[(6-methyl-4-phenylcyclohexa-1,3-dien-1-yl)methyl]-4-phenylaniline
CID 129145576

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(naphthalen-1-ylmethyl)anilino]phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(naphthalen-1-ylmethyl)anilino]phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine (CID 143258012) is N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(naphthalen-1-ylmethyl)anilino]phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(naphthalen-1-ylmethyl)anilino]phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(naphthalen-1-ylmethyl)anilino]phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine is C1=CCCC(N(C2=CCC(c3ccc(N(Cc4cccc5ccccc45)c4ccc(-c5ccc(C6C=CC=CC6)cc5)cc4)cc3)C=C2)c2cccc3ccccc23)=C1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(naphthalen-1-ylmethyl)anilino]phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine?
The InChIKey is WTPFJCWXGBZDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H48N2/c1-3-13-42(14-4-1)43-25-27-44(28-26-43)45-29-35-51(36-30-45)58(41-50-19-11-17-48-15-7-9-22-55(48)50)52-37-31-46(32-38-52)47-33-39-54(40-34-47)59(53-20-5-2-6-21-53)57-24-12-18-49-16-8-10-23-56(49)57/h1-5,7-13,15-20,22-33,35-40,42,47H,6,14,21,34,41H2.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(naphthalen-1-ylmethyl)anilino]phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine?
N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(naphthalen-1-ylmethyl)anilino]phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine has a molecular weight of 761.03 g/mol, XLogP of 15.27, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(naphthalen-1-ylmethyl)anilino]phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine is sourced from PubChem (CID 143258012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).