benzene;4-[(E)-2-[4-[4-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]phenyl]cyclohepta-1,3,6-trien-1-yl]ethenyl]-N,N-diphenylcyclohepta-1,3,5-trien-1-amine

C55H48N2 — CID 143983833

IUPACbenzene;4-[(E)-2-[4-[4-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]phenyl]cyclohepta-1,3,6-trien-1-yl]ethenyl]-N,N-diphenylcyclohepta-1,3,5-trien-1-amine
SMILESCN(c1ccccc1)c1ccc(/C=C/c2ccc(C3=CC=C(/C=C/C4=CC=C(N(c5ccccc5)c5ccccc5)CC=C4)C=CC3)cc2)cc1.c1ccccc1
InChIInChI=1S/C49H42N2.C6H6/c1-50(45-16-5-2-6-17-45)46-36-30-42(31-37-46)26-25-41-28-34-44(35-29-41)43-15-11-13-39(27-33-43)23-24-40-14-12-22-49(38-32-40)51(47-18-7-3-8-19-47)48-20-9-4-10-21-48;1-2-4-6-5-3-1/h2-14,16-21,23-38H,15,22H2,1H3;1-6H/b24-23+,26-25+;
InChIKeyYJUATSSRXAFBEL-HMNSNYPBSA-N
MW737.00 g/mol
LogP14.75
Rot. Bonds10

About benzene;4-[(E)-2-[4-[4-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]phenyl]cyclohepta-1,3,6-trien-1-yl]ethenyl]-N,N-diphenylcyclohepta-1,3,5-trien-1-amine

benzene;4-[(E)-2-[4-[4-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]phenyl]cyclohepta-1,3,6-trien-1-yl]ethenyl]-N,N-diphenylcyclohepta-1,3,5-trien-1-amine (PubChem CID 143983833) has the molecular formula C55H48N2 and a molecular weight of 737.00 g/mol. Its IUPAC name is benzene;4-[(E)-2-[4-[4-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]phenyl]cyclohepta-1,3,6-trien-1-yl]ethenyl]-N,N-diphenylcyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Namebenzene;4-[(E)-2-[4-[4-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]phenyl]cyclohepta-1,3,6-trien-1-yl]ethenyl]-N,N-diphenylcyclohepta-1,3,5-trien-1-amine
PubChem CID143983833
Molecular FormulaC55H48N2
Molecular Weight737.00 g/mol
Exact Mass736.38
IUPAC Namebenzene;4-[(E)-2-[4-[4-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]phenyl]cyclohepta-1,3,6-trien-1-yl]ethenyl]-N,N-diphenylcyclohepta-1,3,5-trien-1-amine
SMILESCN(c1ccccc1)c1ccc(/C=C/c2ccc(C3=CC=C(/C=C/C4=CC=C(N(c5ccccc5)c5ccccc5)CC=C4)C=CC3)cc2)cc1.c1ccccc1
InChIInChI=1S/C49H42N2.C6H6/c1-50(45-16-5-2-6-17-45)46-36-30-42(31-37-46)26-25-41-28-34-44(35-29-41)43-15-11-13-39(27-33-43)23-24-40-14-12-22-49(38-32-40)51(47-18-7-3-8-19-47)48-20-9-4-10-21-48;1-2-4-6-5-3-1/h2-14,16-21,23-38H,15,22H2,1H3;1-6H/b24-23+,26-25+;
InChIKeyYJUATSSRXAFBEL-HMNSNYPBSA-N
XLogP14.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.00
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze benzene;4-[(E)-2-[4-[4-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]phenyl]cyclohepta-1,3,6-trien-1-yl]ethenyl]-N,N-diphenylcyclohepta-1,3,5-trien-1-amine with MolForge

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Related Compounds

N-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline
CID 155621570
N-phenyl-N-(4-phenylphenyl)-4-[(E)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]aniline
CID 58715854
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983495
N-phenyl-N-[4-(4-phenylphenyl)phenyl]-4-[(E)-2-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]ethenyl]aniline
CID 59533083
1-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-N-[4-(2-phenylethenyl)phenyl]-4-N-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 59048165
N-phenyl-4-[4-(N-(4-phenylphenyl)anilino)cyclohexa-1,3-dien-1-yl]-N-[4-[4-[4-(N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]aniline
CID 156569222
1-N,4-N,4-N-triphenyl-1-N-[4-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]cyclohexa-1,3-dien-1-yl]benzene-1,4-diamine
CID 89035334
1-N,1-N,4-N-triphenyl-4-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]benzene-1,4-diamine
CID 66641192
N,N-diphenyl-4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 177478696
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314
4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)benzaldehyde
CID 88863583
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502

Frequently Asked Questions

What is the IUPAC name of benzene;4-[(E)-2-[4-[4-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]phenyl]cyclohepta-1,3,6-trien-1-yl]ethenyl]-N,N-diphenylcyclohepta-1,3,5-trien-1-amine?
The IUPAC name of benzene;4-[(E)-2-[4-[4-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]phenyl]cyclohepta-1,3,6-trien-1-yl]ethenyl]-N,N-diphenylcyclohepta-1,3,5-trien-1-amine (CID 143983833) is benzene;4-[(E)-2-[4-[4-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]phenyl]cyclohepta-1,3,6-trien-1-yl]ethenyl]-N,N-diphenylcyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for benzene;4-[(E)-2-[4-[4-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]phenyl]cyclohepta-1,3,6-trien-1-yl]ethenyl]-N,N-diphenylcyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for benzene;4-[(E)-2-[4-[4-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]phenyl]cyclohepta-1,3,6-trien-1-yl]ethenyl]-N,N-diphenylcyclohepta-1,3,5-trien-1-amine is CN(c1ccccc1)c1ccc(/C=C/c2ccc(C3=CC=C(/C=C/C4=CC=C(N(c5ccccc5)c5ccccc5)CC=C4)C=CC3)cc2)cc1.c1ccccc1.
What is the InChIKey of benzene;4-[(E)-2-[4-[4-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]phenyl]cyclohepta-1,3,6-trien-1-yl]ethenyl]-N,N-diphenylcyclohepta-1,3,5-trien-1-amine?
The InChIKey is YJUATSSRXAFBEL-HMNSNYPBSA-N. The full InChI is InChI=1S/C49H42N2.C6H6/c1-50(45-16-5-2-6-17-45)46-36-30-42(31-37-46)26-25-41-28-34-44(35-29-41)43-15-11-13-39(27-33-43)23-24-40-14-12-22-49(38-32-40)51(47-18-7-3-8-19-47)48-20-9-4-10-21-48;1-2-4-6-5-3-1/h2-14,16-21,23-38H,15,22H2,1H3;1-6H/b24-23+,26-25+;.
What are the key properties of benzene;4-[(E)-2-[4-[4-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]phenyl]cyclohepta-1,3,6-trien-1-yl]ethenyl]-N,N-diphenylcyclohepta-1,3,5-trien-1-amine?
benzene;4-[(E)-2-[4-[4-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]phenyl]cyclohepta-1,3,6-trien-1-yl]ethenyl]-N,N-diphenylcyclohepta-1,3,5-trien-1-amine has a molecular weight of 737.00 g/mol, XLogP of 14.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;4-[(E)-2-[4-[4-[(E)-2-[4-(N-methylanilino)phenyl]ethenyl]phenyl]cyclohepta-1,3,6-trien-1-yl]ethenyl]-N,N-diphenylcyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 143983833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).