1-anthracen-9-yl-2-methylimino-2-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)ethanol

C26H25NO — CID 142238417

IUPAC1-anthracen-9-yl-2-methylimino-2-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)ethanol
SMILESC/N=C(/C(O)c1c2ccccc2cc2ccccc12)C12CC3CC4CC(C1)C432
InChIInChI=1S/C26H25NO/c1-27-24(25-13-18-11-17-12-19(14-25)26(17,18)25)23(28)22-20-8-4-2-6-15(20)10-16-7-3-5-9-21(16)22/h2-10,17-19,23,28H,11-14H2,1H3/b27-24-
InChIKeyQQGFBABNIMRKHS-PNHLSOANSA-N
MW367.49 g/mol
LogP5.53
Rot. Bonds3

About 1-anthracen-9-yl-2-methylimino-2-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)ethanol

1-anthracen-9-yl-2-methylimino-2-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)ethanol (PubChem CID 142238417) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-anthracen-9-yl-2-methylimino-2-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)ethanol.

Molecular Properties

Compound Name1-anthracen-9-yl-2-methylimino-2-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)ethanol
PubChem CID142238417
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name1-anthracen-9-yl-2-methylimino-2-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)ethanol
SMILESC/N=C(/C(O)c1c2ccccc2cc2ccccc12)C12CC3CC4CC(C1)C432
InChIInChI=1S/C26H25NO/c1-27-24(25-13-18-11-17-12-19(14-25)26(17,18)25)23(28)22-20-8-4-2-6-15(20)10-16-7-3-5-9-21(16)22/h2-10,17-19,23,28H,11-14H2,1H3/b27-24-
InChIKeyQQGFBABNIMRKHS-PNHLSOANSA-N
XLogP5.53
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-anthracen-9-yl-2-methylimino-2-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)ethanol with MolForge

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Related Compounds

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CID 601382
(12R,13S)-13-[(E)-2-(benzhydrylideneamino)ethenyl]pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaen-12-ol
CID 155931216
[4-(N-methyl-C-naphthalen-1-ylcarbonimidoyl)phenyl]methanol
CID 122629914
(3E)-N-[(2Z,5E)-4-methylidene-5-[(Z)-prop-1-enyl]octa-2,5,7-trien-2-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine;[2-methyl-3-(2-methylphenyl)-6-[(2-methylphenyl)-diphenylmethyl]phenyl]methanol
CID 145348232
[1-(2,6-Dimethylphenyl)-4a,8a-dihydroisoquinolin-4-yl]-naphthalen-1-ylmethanol
CID 143137805

Frequently Asked Questions

What is the IUPAC name of 1-anthracen-9-yl-2-methylimino-2-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)ethanol?
The IUPAC name of 1-anthracen-9-yl-2-methylimino-2-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)ethanol (CID 142238417) is 1-anthracen-9-yl-2-methylimino-2-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)ethanol.
What is the SMILES notation for 1-anthracen-9-yl-2-methylimino-2-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)ethanol?
The canonical SMILES for 1-anthracen-9-yl-2-methylimino-2-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)ethanol is C/N=C(/C(O)c1c2ccccc2cc2ccccc12)C12CC3CC4CC(C1)C432.
What is the InChIKey of 1-anthracen-9-yl-2-methylimino-2-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)ethanol?
The InChIKey is QQGFBABNIMRKHS-PNHLSOANSA-N. The full InChI is InChI=1S/C26H25NO/c1-27-24(25-13-18-11-17-12-19(14-25)26(17,18)25)23(28)22-20-8-4-2-6-15(20)10-16-7-3-5-9-21(16)22/h2-10,17-19,23,28H,11-14H2,1H3/b27-24-.
What are the key properties of 1-anthracen-9-yl-2-methylimino-2-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)ethanol?
1-anthracen-9-yl-2-methylimino-2-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)ethanol has a molecular weight of 367.49 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-9-yl-2-methylimino-2-(1-tetracyclo[3.3.1.03,9.07,9]nonanyl)ethanol is sourced from PubChem (CID 142238417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).