(E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene

C38H38N2 — CID 144856655

IUPAC(E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene
SMILESCc1ccc2ccccc2c1.Cc1ccccc1.N/C(=C1/C=CC=CC1)c1ccc(/C(N)=C2\C=CC=CC2)cc1
InChIInChI=1S/C20H20N2.C11H10.C7H8/c21-19(15-7-3-1-4-8-15)17-11-13-18(14-12-17)20(22)16-9-5-2-6-10-16;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-5-3-2-4-6-7/h1-7,9,11-14H,8,10,21-22H2;2-8H,1H3;2-6H,1H3/b19-15-,20-16-;;
InChIKeyREFWSLBPUHXASG-WVEWNRHPSA-N
MW522.74 g/mol
LogP9.20
Rot. Bonds2

About (E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene

(E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene (PubChem CID 144856655) has the molecular formula C38H38N2 and a molecular weight of 522.74 g/mol. Its IUPAC name is (E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene.

Molecular Properties

Compound Name(E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene
PubChem CID144856655
Molecular FormulaC38H38N2
Molecular Weight522.74 g/mol
Exact Mass522.30
IUPAC Name(E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene
SMILESCc1ccc2ccccc2c1.Cc1ccccc1.N/C(=C1/C=CC=CC1)c1ccc(/C(N)=C2\C=CC=CC2)cc1
InChIInChI=1S/C20H20N2.C11H10.C7H8/c21-19(15-7-3-1-4-8-15)17-11-13-18(14-12-17)20(22)16-9-5-2-6-10-16;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-5-3-2-4-6-7/h1-7,9,11-14H,8,10,21-22H2;2-8H,1H3;2-6H,1H3/b19-15-,20-16-;;
InChIKeyREFWSLBPUHXASG-WVEWNRHPSA-N
XLogP9.20
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.74
LogP ≤ 59.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene with MolForge

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Related Compounds

(E)-cyclohexa-2,4-dien-1-ylidene-(4-naphthalen-1-ylphenyl)methanamine;ethanamine
CID 142324458
N'-[(E)-cyclohexa-2,4-dien-1-ylidene(phenyl)methyl]-4-methylbenzenecarboximidamide
CID 142293657
benzene;2-methylnaphthalene
CID 159438891
(6Z)-6-[amino-[6-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]naphthalen-2-yl]methylidene]-N-methyl-N-[(4-phenanthren-9-ylphenyl)methyl]cyclohexa-2,4-dien-1-amine;9-(4-methylphenyl)phenanthrene
CID 144856421
9-[(Z)-cyclohexa-2,4-dien-1-ylidene-[2-(1-naphthalen-2-ylethenyl)phenyl]methyl]-2-methyl-9-phenylfluorene
CID 145384369
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
2-methylnaphthalene chloride
CID 21193556
2-methylnaphthalene;dihydrate
CID 174912803
2-methylanthracene;2-methylnaphthalene;1-methyl-4-phenylbenzene;toluene
CID 161098980
lithium;hydride;2-methylnaphthalene
CID 175090071
1-(4-methylphenyl)-4-naphthalen-2-ylbut-2-ene-1,4-dione
CID 139710300
(E)-cyclohexa-2,4-dien-1-ylidene-[4-[(Z)-hydrazinyl-(6-phenanthren-9-ylcyclohexa-2,4-dien-1-ylidene)methyl]phenyl]methanamine
CID 144856610

Frequently Asked Questions

What is the IUPAC name of (E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene?
The IUPAC name of (E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene (CID 144856655) is (E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene.
What is the SMILES notation for (E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene?
The canonical SMILES for (E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene is Cc1ccc2ccccc2c1.Cc1ccccc1.N/C(=C1/C=CC=CC1)c1ccc(/C(N)=C2\C=CC=CC2)cc1.
What is the InChIKey of (E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene?
The InChIKey is REFWSLBPUHXASG-WVEWNRHPSA-N. The full InChI is InChI=1S/C20H20N2.C11H10.C7H8/c21-19(15-7-3-1-4-8-15)17-11-13-18(14-12-17)20(22)16-9-5-2-6-10-16;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-5-3-2-4-6-7/h1-7,9,11-14H,8,10,21-22H2;2-8H,1H3;2-6H,1H3/b19-15-,20-16-;;.
What are the key properties of (E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene?
(E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene has a molecular weight of 522.74 g/mol, XLogP of 9.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[4-[(E)-amino(cyclohexa-2,4-dien-1-ylidene)methyl]phenyl]-cyclohexa-2,4-dien-1-ylidenemethanamine;2-methylnaphthalene;toluene is sourced from PubChem (CID 144856655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).