(2Z,4E)-4-N-[4-(2-bicyclo[3.1.0]hexa-2,4-dienyl)phenyl]-1-N-methyl-1-N-naphthalen-1-yl-4-N-(4-phenylphenyl)hepta-2,4,6-triene-1,4-diamine

C42H36N2 — CID 143685232

IUPAC(2Z,4E)-4-N-[4-(2-bicyclo[3.1.0]hexa-2,4-dienyl)phenyl]-1-N-methyl-1-N-naphthalen-1-yl-4-N-(4-phenylphenyl)hepta-2,4,6-triene-1,4-diamine
SMILESC=C/C=C(\C=C/CN(C)c1cccc2ccccc12)N(c1ccc(C2=CC=C3CC32)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C42H36N2/c1-3-11-36(16-10-29-43(2)42-18-9-15-33-14-7-8-17-40(33)42)44(37-24-19-32(20-25-37)31-12-5-4-6-13-31)38-26-21-34(22-27-38)39-28-23-35-30-41(35)39/h3-28,41H,1,29-30H2,2H3/b16-10-,36-11+
InChIKeyOWJBCTDLMROLTK-WJWUKKSTSA-N
MW568.76 g/mol
LogP10.75
Rot. Bonds10

About (2Z,4E)-4-N-[4-(2-bicyclo[3.1.0]hexa-2,4-dienyl)phenyl]-1-N-methyl-1-N-naphthalen-1-yl-4-N-(4-phenylphenyl)hepta-2,4,6-triene-1,4-diamine

(2Z,4E)-4-N-[4-(2-bicyclo[3.1.0]hexa-2,4-dienyl)phenyl]-1-N-methyl-1-N-naphthalen-1-yl-4-N-(4-phenylphenyl)hepta-2,4,6-triene-1,4-diamine (PubChem CID 143685232) has the molecular formula C42H36N2 and a molecular weight of 568.76 g/mol. Its IUPAC name is (2Z,4E)-4-N-[4-(2-bicyclo[3.1.0]hexa-2,4-dienyl)phenyl]-1-N-methyl-1-N-naphthalen-1-yl-4-N-(4-phenylphenyl)hepta-2,4,6-triene-1,4-diamine.

Molecular Properties

Compound Name(2Z,4E)-4-N-[4-(2-bicyclo[3.1.0]hexa-2,4-dienyl)phenyl]-1-N-methyl-1-N-naphthalen-1-yl-4-N-(4-phenylphenyl)hepta-2,4,6-triene-1,4-diamine
PubChem CID143685232
Molecular FormulaC42H36N2
Molecular Weight568.76 g/mol
Exact Mass568.29
IUPAC Name(2Z,4E)-4-N-[4-(2-bicyclo[3.1.0]hexa-2,4-dienyl)phenyl]-1-N-methyl-1-N-naphthalen-1-yl-4-N-(4-phenylphenyl)hepta-2,4,6-triene-1,4-diamine
SMILESC=C/C=C(\C=C/CN(C)c1cccc2ccccc12)N(c1ccc(C2=CC=C3CC32)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C42H36N2/c1-3-11-36(16-10-29-43(2)42-18-9-15-33-14-7-8-17-40(33)42)44(37-24-19-32(20-25-37)31-12-5-4-6-13-31)38-26-21-34(22-27-38)39-28-23-35-30-41(35)39/h3-28,41H,1,29-30H2,2H3/b16-10-,36-11+
InChIKeyOWJBCTDLMROLTK-WJWUKKSTSA-N
XLogP10.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.76
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4E)-4-N-[4-(2-bicyclo[3.1.0]hexa-2,4-dienyl)phenyl]-1-N-methyl-1-N-naphthalen-1-yl-4-N-(4-phenylphenyl)hepta-2,4,6-triene-1,4-diamine with MolForge

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Related Compounds

ethane;N-[4-[4-[[(3E,5Z)-hepta-1,3,5-trien-4-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 144918413
N-[4-[4-[hepta-2,4-dien-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 123437174
ethene;N-methyl-N-[(2Z,4E)-4-nitrohexa-2,4-dienyl]naphthalen-1-amine
CID 143268830
N-methyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 70877197
N-[4-[4-[N-(3,4-dihydronaphthalen-1-yl)anilino]phenyl]phenyl]-N-[(3E)-hexa-1,3,5-trien-3-yl]naphthalen-1-amine
CID 143485799
4-phenyl-N-[(2Z,4E)-4-phenylhepta-2,4,6-trienyl]-N-(4-phenylphenyl)aniline
CID 89078708
5-N-hexa-1,3,5-trien-3-yl-16-N-naphthalen-1-yl-16-N-phenanthren-9-yl-5-N-phenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,20(24),21-decaene-5,16-diamine
CID 123844825
N-[4-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]phenyl]-N-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-1-amine
CID 143743724
4-[4-(N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-phenylanilino)-N-methylanilino]phenol
CID 143685205
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-N-[4-(2-bicyclo[3.1.0]hexa-2,4-dienyl)phenyl]-1-N-methyl-1-N-naphthalen-1-yl-4-N-(4-phenylphenyl)hepta-2,4,6-triene-1,4-diamine?
The IUPAC name of (2Z,4E)-4-N-[4-(2-bicyclo[3.1.0]hexa-2,4-dienyl)phenyl]-1-N-methyl-1-N-naphthalen-1-yl-4-N-(4-phenylphenyl)hepta-2,4,6-triene-1,4-diamine (CID 143685232) is (2Z,4E)-4-N-[4-(2-bicyclo[3.1.0]hexa-2,4-dienyl)phenyl]-1-N-methyl-1-N-naphthalen-1-yl-4-N-(4-phenylphenyl)hepta-2,4,6-triene-1,4-diamine.
What is the SMILES notation for (2Z,4E)-4-N-[4-(2-bicyclo[3.1.0]hexa-2,4-dienyl)phenyl]-1-N-methyl-1-N-naphthalen-1-yl-4-N-(4-phenylphenyl)hepta-2,4,6-triene-1,4-diamine?
The canonical SMILES for (2Z,4E)-4-N-[4-(2-bicyclo[3.1.0]hexa-2,4-dienyl)phenyl]-1-N-methyl-1-N-naphthalen-1-yl-4-N-(4-phenylphenyl)hepta-2,4,6-triene-1,4-diamine is C=C/C=C(\C=C/CN(C)c1cccc2ccccc12)N(c1ccc(C2=CC=C3CC32)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2Z,4E)-4-N-[4-(2-bicyclo[3.1.0]hexa-2,4-dienyl)phenyl]-1-N-methyl-1-N-naphthalen-1-yl-4-N-(4-phenylphenyl)hepta-2,4,6-triene-1,4-diamine?
The InChIKey is OWJBCTDLMROLTK-WJWUKKSTSA-N. The full InChI is InChI=1S/C42H36N2/c1-3-11-36(16-10-29-43(2)42-18-9-15-33-14-7-8-17-40(33)42)44(37-24-19-32(20-25-37)31-12-5-4-6-13-31)38-26-21-34(22-27-38)39-28-23-35-30-41(35)39/h3-28,41H,1,29-30H2,2H3/b16-10-,36-11+.
What are the key properties of (2Z,4E)-4-N-[4-(2-bicyclo[3.1.0]hexa-2,4-dienyl)phenyl]-1-N-methyl-1-N-naphthalen-1-yl-4-N-(4-phenylphenyl)hepta-2,4,6-triene-1,4-diamine?
(2Z,4E)-4-N-[4-(2-bicyclo[3.1.0]hexa-2,4-dienyl)phenyl]-1-N-methyl-1-N-naphthalen-1-yl-4-N-(4-phenylphenyl)hepta-2,4,6-triene-1,4-diamine has a molecular weight of 568.76 g/mol, XLogP of 10.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-N-[4-(2-bicyclo[3.1.0]hexa-2,4-dienyl)phenyl]-1-N-methyl-1-N-naphthalen-1-yl-4-N-(4-phenylphenyl)hepta-2,4,6-triene-1,4-diamine is sourced from PubChem (CID 143685232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).