N-anthracen-9-yl-1-[5-(anthracen-9-yliminomethyl)-1-methylpyrrol-2-yl]methanimine

C35H25N3 — CID 18718594

IUPACN-anthracen-9-yl-1-[5-(anthracen-9-yliminomethyl)-1-methylpyrrol-2-yl]methanimine
SMILESCn1c(/C=N/c2c3ccccc3cc3ccccc23)ccc1/C=N/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C35H25N3/c1-38-28(22-36-34-30-14-6-2-10-24(30)20-25-11-3-7-15-31(25)34)18-19-29(38)23-37-35-32-16-8-4-12-26(32)21-27-13-5-9-17-33(27)35/h2-23H,1H3/b36-22+,37-23+
InChIKeyYPCQUVNZWSNAKI-BVDGQYGUSA-N
MW487.61 g/mol
LogP9.14
Rot. Bonds4

About N-anthracen-9-yl-1-[5-(anthracen-9-yliminomethyl)-1-methylpyrrol-2-yl]methanimine

N-anthracen-9-yl-1-[5-(anthracen-9-yliminomethyl)-1-methylpyrrol-2-yl]methanimine (PubChem CID 18718594) has the molecular formula C35H25N3 and a molecular weight of 487.61 g/mol. Its IUPAC name is N-anthracen-9-yl-1-[5-(anthracen-9-yliminomethyl)-1-methylpyrrol-2-yl]methanimine.

Molecular Properties

Compound NameN-anthracen-9-yl-1-[5-(anthracen-9-yliminomethyl)-1-methylpyrrol-2-yl]methanimine
PubChem CID18718594
Molecular FormulaC35H25N3
Molecular Weight487.61 g/mol
Exact Mass487.20
IUPAC NameN-anthracen-9-yl-1-[5-(anthracen-9-yliminomethyl)-1-methylpyrrol-2-yl]methanimine
SMILESCn1c(/C=N/c2c3ccccc3cc3ccccc23)ccc1/C=N/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C35H25N3/c1-38-28(22-36-34-30-14-6-2-10-24(30)20-25-11-3-7-15-31(25)34)18-19-29(38)23-37-35-32-16-8-4-12-26(32)21-27-13-5-9-17-33(27)35/h2-23H,1H3/b36-22+,37-23+
InChIKeyYPCQUVNZWSNAKI-BVDGQYGUSA-N
XLogP9.14
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.61
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
CID 18718632
dibromoiron;1-[1-methyl-5-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
CID 18718659
1-[1-methyl-5-(naphthalen-1-yliminomethyl)pyrrol-2-yl]-N-naphthalen-1-ylethanimine
CID 18719145
(E)-1-[1-methyl-5-[(E)-triphenylsilyliminomethyl]pyrrol-2-yl]-N-(2,4,6-trimethylphenyl)methanimine
CID 18718686
5-[(Z)-[(Z)-anthracen-9-ylmethylidenehydrazinylidene]methyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 135548542
12,33-dimethyl-12,33-diazanonacyclo[33.7.1.114,22.02,11.05,10.015,20.023,32.026,31.036,41]tetratetraconta-1(42),2(11),3,5,7,9,14(44),15,17,19,21,23(32),24,26,28,30,35(43),36,38,40-icosaene-13,34-dione
CID 58568504
1-anthracen-9-yl-N-(1,2,4-triazol-4-yl)methanimine
CID 760728
1-[5-(N-anthracen-9-yl-C-methylcarbonimidoyl)-1-methylpyrrol-2-yl]-N-phenylethanimine
CID 18718620
pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 160736098
(NZ)-N-(anthracen-9-ylmethylidene)hydroxylamine
CID 5355154
3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-1-[3-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol
CID 136826646
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317

Frequently Asked Questions

What is the IUPAC name of N-anthracen-9-yl-1-[5-(anthracen-9-yliminomethyl)-1-methylpyrrol-2-yl]methanimine?
The IUPAC name of N-anthracen-9-yl-1-[5-(anthracen-9-yliminomethyl)-1-methylpyrrol-2-yl]methanimine (CID 18718594) is N-anthracen-9-yl-1-[5-(anthracen-9-yliminomethyl)-1-methylpyrrol-2-yl]methanimine.
What is the SMILES notation for N-anthracen-9-yl-1-[5-(anthracen-9-yliminomethyl)-1-methylpyrrol-2-yl]methanimine?
The canonical SMILES for N-anthracen-9-yl-1-[5-(anthracen-9-yliminomethyl)-1-methylpyrrol-2-yl]methanimine is Cn1c(/C=N/c2c3ccccc3cc3ccccc23)ccc1/C=N/c1c2ccccc2cc2ccccc12.
What is the InChIKey of N-anthracen-9-yl-1-[5-(anthracen-9-yliminomethyl)-1-methylpyrrol-2-yl]methanimine?
The InChIKey is YPCQUVNZWSNAKI-BVDGQYGUSA-N. The full InChI is InChI=1S/C35H25N3/c1-38-28(22-36-34-30-14-6-2-10-24(30)20-25-11-3-7-15-31(25)34)18-19-29(38)23-37-35-32-16-8-4-12-26(32)21-27-13-5-9-17-33(27)35/h2-23H,1H3/b36-22+,37-23+.
What are the key properties of N-anthracen-9-yl-1-[5-(anthracen-9-yliminomethyl)-1-methylpyrrol-2-yl]methanimine?
N-anthracen-9-yl-1-[5-(anthracen-9-yliminomethyl)-1-methylpyrrol-2-yl]methanimine has a molecular weight of 487.61 g/mol, XLogP of 9.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-anthracen-9-yl-1-[5-(anthracen-9-yliminomethyl)-1-methylpyrrol-2-yl]methanimine is sourced from PubChem (CID 18718594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).