2-anthracen-9-yl-6-[(2-ethyl-6-propan-2-ylphenyl)iminomethyl]phenol;ethane

C34H35NO — CID 145257725

IUPAC2-anthracen-9-yl-6-[(2-ethyl-6-propan-2-ylphenyl)iminomethyl]phenol;ethane
SMILESCC.CCc1cccc(C(C)C)c1/N=C/c1cccc(-c2c3ccccc3cc3ccccc23)c1O
InChIInChI=1S/C32H29NO.C2H6/c1-4-22-13-9-17-26(21(2)3)31(22)33-20-25-14-10-18-29(32(25)34)30-27-15-7-5-11-23(27)19-24-12-6-8-16-28(24)30;1-2/h5-21,34H,4H2,1-3H3;1-2H3/b33-20+;
InChIKeyQBLOTNVNMWWDAS-GOGRUDEGSA-N
MW473.66 g/mol
LogP9.83
Rot. Bonds5

About 2-anthracen-9-yl-6-[(2-ethyl-6-propan-2-ylphenyl)iminomethyl]phenol;ethane

2-anthracen-9-yl-6-[(2-ethyl-6-propan-2-ylphenyl)iminomethyl]phenol;ethane (PubChem CID 145257725) has the molecular formula C34H35NO and a molecular weight of 473.66 g/mol. Its IUPAC name is 2-anthracen-9-yl-6-[(2-ethyl-6-propan-2-ylphenyl)iminomethyl]phenol;ethane.

Molecular Properties

Compound Name2-anthracen-9-yl-6-[(2-ethyl-6-propan-2-ylphenyl)iminomethyl]phenol;ethane
PubChem CID145257725
Molecular FormulaC34H35NO
Molecular Weight473.66 g/mol
Exact Mass473.27
IUPAC Name2-anthracen-9-yl-6-[(2-ethyl-6-propan-2-ylphenyl)iminomethyl]phenol;ethane
SMILESCC.CCc1cccc(C(C)C)c1/N=C/c1cccc(-c2c3ccccc3cc3ccccc23)c1O
InChIInChI=1S/C32H29NO.C2H6/c1-4-22-13-9-17-26(21(2)3)31(22)33-20-25-14-10-18-29(32(25)34)30-27-15-7-5-11-23(27)19-24-12-6-8-16-28(24)30;1-2/h5-21,34H,4H2,1-3H3;1-2H3/b33-20+;
InChIKeyQBLOTNVNMWWDAS-GOGRUDEGSA-N
XLogP9.83
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.66
LogP ≤ 59.83
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-anthracen-9-yl-6-[(2-ethyl-6-propan-2-ylphenyl)iminomethyl]phenol;ethane?
The IUPAC name of 2-anthracen-9-yl-6-[(2-ethyl-6-propan-2-ylphenyl)iminomethyl]phenol;ethane (CID 145257725) is 2-anthracen-9-yl-6-[(2-ethyl-6-propan-2-ylphenyl)iminomethyl]phenol;ethane.
What is the SMILES notation for 2-anthracen-9-yl-6-[(2-ethyl-6-propan-2-ylphenyl)iminomethyl]phenol;ethane?
The canonical SMILES for 2-anthracen-9-yl-6-[(2-ethyl-6-propan-2-ylphenyl)iminomethyl]phenol;ethane is CC.CCc1cccc(C(C)C)c1/N=C/c1cccc(-c2c3ccccc3cc3ccccc23)c1O.
What is the InChIKey of 2-anthracen-9-yl-6-[(2-ethyl-6-propan-2-ylphenyl)iminomethyl]phenol;ethane?
The InChIKey is QBLOTNVNMWWDAS-GOGRUDEGSA-N. The full InChI is InChI=1S/C32H29NO.C2H6/c1-4-22-13-9-17-26(21(2)3)31(22)33-20-25-14-10-18-29(32(25)34)30-27-15-7-5-11-23(27)19-24-12-6-8-16-28(24)30;1-2/h5-21,34H,4H2,1-3H3;1-2H3/b33-20+;.
What are the key properties of 2-anthracen-9-yl-6-[(2-ethyl-6-propan-2-ylphenyl)iminomethyl]phenol;ethane?
2-anthracen-9-yl-6-[(2-ethyl-6-propan-2-ylphenyl)iminomethyl]phenol;ethane has a molecular weight of 473.66 g/mol, XLogP of 9.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-9-yl-6-[(2-ethyl-6-propan-2-ylphenyl)iminomethyl]phenol;ethane is sourced from PubChem (CID 145257725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).