(E)-N-(2,5-dinaphthalen-1-ylpyrrol-1-yl)-3-methylbut-3-en-2-imine

C29H24N2 — CID 142013846

IUPAC(E)-N-(2,5-dinaphthalen-1-ylpyrrol-1-yl)-3-methylbut-3-en-2-imine
SMILESC=C(C)/C(C)=N/n1c(-c2cccc3ccccc23)ccc1-c1cccc2ccccc12
InChIInChI=1S/C29H24N2/c1-20(2)21(3)30-31-28(26-16-8-12-22-10-4-6-14-24(22)26)18-19-29(31)27-17-9-13-23-11-5-7-15-25(23)27/h4-19H,1H2,2-3H3/b30-21+
InChIKeyIQOYJNVGZMQSBV-MWAVMZGNSA-N
MW400.53 g/mol
LogP7.93
Rot. Bonds4

About (E)-N-(2,5-dinaphthalen-1-ylpyrrol-1-yl)-3-methylbut-3-en-2-imine

(E)-N-(2,5-dinaphthalen-1-ylpyrrol-1-yl)-3-methylbut-3-en-2-imine (PubChem CID 142013846) has the molecular formula C29H24N2 and a molecular weight of 400.53 g/mol. Its IUPAC name is (E)-N-(2,5-dinaphthalen-1-ylpyrrol-1-yl)-3-methylbut-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-(2,5-dinaphthalen-1-ylpyrrol-1-yl)-3-methylbut-3-en-2-imine
PubChem CID142013846
Molecular FormulaC29H24N2
Molecular Weight400.53 g/mol
Exact Mass400.19
IUPAC Name(E)-N-(2,5-dinaphthalen-1-ylpyrrol-1-yl)-3-methylbut-3-en-2-imine
SMILESC=C(C)/C(C)=N/n1c(-c2cccc3ccccc23)ccc1-c1cccc2ccccc12
InChIInChI=1S/C29H24N2/c1-20(2)21(3)30-31-28(26-16-8-12-22-10-4-6-14-24(22)26)18-19-29(31)27-17-9-13-23-11-5-7-15-25(23)27/h4-19H,1H2,2-3H3/b30-21+
InChIKeyIQOYJNVGZMQSBV-MWAVMZGNSA-N
XLogP7.93
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-N-(2,5-dinaphthalen-1-ylpyrrol-1-yl)-3-methylbut-3-en-2-imine 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

ethyl 1-[3-(2,5-diphenylpyrrol-1-yl)iminobutan-2-ylideneamino]-5-naphthalen-1-yl-2-phenylpyrrole-3-carboxylate
CID 72655982
bis(2-N,3-N-bis(2-cyclopropyl-3,5-dimethylpyrrol-1-yl)butane-2,3-diimine);2-N,3-N-bis(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N,3-N-bis(2,5-dinaphthalen-1-ylpyrrol-1-yl)butane-2,3-diimine;3-N-(2,3-dimethyl-5-naphthalen-1-ylpyrrol-1-yl)-2-N-(2,5-dimethylpyrrol-1-yl)butane-2,3-diimine;2-N-(2,5-dimethylpyrrol-1-yl)-3-N-(2,3,5-trimethylpyrrol-1-yl)butane-2,3-diimine
CID 172917234
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-[4-(3-methylbuta-1,3-dienyl)phenyl]naphthalene
CID 123732172
4-[C-methyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol
CID 135720820
1-naphthalen-1-ylnaphthalene;ruthenium(2+);dichloride
CID 11327769
(1-naphthalen-1-ylnaphthalen-2-yl) 2-methylprop-2-enoate
CID 67218834
N-[1-(6-naphthalen-1-yl-2-pyridinyl)ethylidene]hydroxylamine
CID 162770634

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,5-dinaphthalen-1-ylpyrrol-1-yl)-3-methylbut-3-en-2-imine?
The IUPAC name of (E)-N-(2,5-dinaphthalen-1-ylpyrrol-1-yl)-3-methylbut-3-en-2-imine (CID 142013846) is (E)-N-(2,5-dinaphthalen-1-ylpyrrol-1-yl)-3-methylbut-3-en-2-imine.
What is the SMILES notation for (E)-N-(2,5-dinaphthalen-1-ylpyrrol-1-yl)-3-methylbut-3-en-2-imine?
The canonical SMILES for (E)-N-(2,5-dinaphthalen-1-ylpyrrol-1-yl)-3-methylbut-3-en-2-imine is C=C(C)/C(C)=N/n1c(-c2cccc3ccccc23)ccc1-c1cccc2ccccc12.
What is the InChIKey of (E)-N-(2,5-dinaphthalen-1-ylpyrrol-1-yl)-3-methylbut-3-en-2-imine?
The InChIKey is IQOYJNVGZMQSBV-MWAVMZGNSA-N. The full InChI is InChI=1S/C29H24N2/c1-20(2)21(3)30-31-28(26-16-8-12-22-10-4-6-14-24(22)26)18-19-29(31)27-17-9-13-23-11-5-7-15-25(23)27/h4-19H,1H2,2-3H3/b30-21+.
What are the key properties of (E)-N-(2,5-dinaphthalen-1-ylpyrrol-1-yl)-3-methylbut-3-en-2-imine?
(E)-N-(2,5-dinaphthalen-1-ylpyrrol-1-yl)-3-methylbut-3-en-2-imine has a molecular weight of 400.53 g/mol, XLogP of 7.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,5-dinaphthalen-1-ylpyrrol-1-yl)-3-methylbut-3-en-2-imine is sourced from PubChem (CID 142013846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).