2-(C-anthracen-9-yl-N-naphthalen-2-ylcarbonimidoyl)phenol

C31H21NO — CID 177390452

IUPAC2-(C-anthracen-9-yl-N-naphthalen-2-ylcarbonimidoyl)phenol
SMILESOc1ccccc1/C(=N\c1ccc2ccccc2c1)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C31H21NO/c33-29-16-8-7-15-28(29)31(32-25-18-17-21-9-1-2-10-22(21)20-25)30-26-13-5-3-11-23(26)19-24-12-4-6-14-27(24)30/h1-20,33H/b32-31+
InChIKeyAZDOMVNXZMFCJK-QNEJGDQOSA-N
MW423.52 g/mol
LogP8.02
Rot. Bonds3

About 2-(C-anthracen-9-yl-N-naphthalen-2-ylcarbonimidoyl)phenol

2-(C-anthracen-9-yl-N-naphthalen-2-ylcarbonimidoyl)phenol (PubChem CID 177390452) has the molecular formula C31H21NO and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-(C-anthracen-9-yl-N-naphthalen-2-ylcarbonimidoyl)phenol.

Molecular Properties

Compound Name2-(C-anthracen-9-yl-N-naphthalen-2-ylcarbonimidoyl)phenol
PubChem CID177390452
Molecular FormulaC31H21NO
Molecular Weight423.52 g/mol
Exact Mass423.16
IUPAC Name2-(C-anthracen-9-yl-N-naphthalen-2-ylcarbonimidoyl)phenol
SMILESOc1ccccc1/C(=N\c1ccc2ccccc2c1)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C31H21NO/c33-29-16-8-7-15-28(29)31(32-25-18-17-21-9-1-2-10-22(21)20-25)30-26-13-5-3-11-23(26)19-24-12-4-6-14-27(24)30/h1-20,33H/b32-31+
InChIKeyAZDOMVNXZMFCJK-QNEJGDQOSA-N
XLogP8.02
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 58.02
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 2-(C-anthracen-9-yl-N-naphthalen-2-ylcarbonimidoyl)phenol 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

1-anthracen-9-yl-N-naphthalen-2-ylmethanimine
CID 13497417
CID 89262500
CID 89262500
anthracene;naphthalene;phenanthrene
CID 158591187
phenanthrene-2,3-diol
CID 23048019
azane;benzo[a]anthracen-1-ol
CID 87178862
benzo[a]anthracen-1-ol;methane
CID 88728153
2-[C-(2-hydroxyphenyl)carbonohydrazonoyl]phenol
CID 135603489
octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol
CID 87638914
naphthalene-2,3-diol;titanium
CID 87616563
sodium naphthalene-2,3-diol
CID 23069442
heptacen-1-ol
CID 150633624
1-(1-hydroxyanthracen-9-yl)ethanone
CID 21140475

Frequently Asked Questions

What is the IUPAC name of 2-(C-anthracen-9-yl-N-naphthalen-2-ylcarbonimidoyl)phenol?
The IUPAC name of 2-(C-anthracen-9-yl-N-naphthalen-2-ylcarbonimidoyl)phenol (CID 177390452) is 2-(C-anthracen-9-yl-N-naphthalen-2-ylcarbonimidoyl)phenol.
What is the SMILES notation for 2-(C-anthracen-9-yl-N-naphthalen-2-ylcarbonimidoyl)phenol?
The canonical SMILES for 2-(C-anthracen-9-yl-N-naphthalen-2-ylcarbonimidoyl)phenol is Oc1ccccc1/C(=N\c1ccc2ccccc2c1)c1c2ccccc2cc2ccccc12.
What is the InChIKey of 2-(C-anthracen-9-yl-N-naphthalen-2-ylcarbonimidoyl)phenol?
The InChIKey is AZDOMVNXZMFCJK-QNEJGDQOSA-N. The full InChI is InChI=1S/C31H21NO/c33-29-16-8-7-15-28(29)31(32-25-18-17-21-9-1-2-10-22(21)20-25)30-26-13-5-3-11-23(26)19-24-12-4-6-14-27(24)30/h1-20,33H/b32-31+.
What are the key properties of 2-(C-anthracen-9-yl-N-naphthalen-2-ylcarbonimidoyl)phenol?
2-(C-anthracen-9-yl-N-naphthalen-2-ylcarbonimidoyl)phenol has a molecular weight of 423.52 g/mol, XLogP of 8.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(C-anthracen-9-yl-N-naphthalen-2-ylcarbonimidoyl)phenol is sourced from PubChem (CID 177390452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).