N-tert-butyl-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethanimine

C28H27NO — CID 2852902

IUPACN-tert-butyl-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethanimine
SMILESCC1=C(c2ccccc2)Oc2ccccc2C1=C/C(=N/C(C)(C)C)c1ccccc1
InChIInChI=1S/C28H27NO/c1-20-24(19-25(29-28(2,3)4)21-13-7-5-8-14-21)23-17-11-12-18-26(23)30-27(20)22-15-9-6-10-16-22/h5-19H,1-4H3/b24-19?,29-25-
InChIKeySBTLKVPNVNCFSM-LDLPDXQUSA-N
MW393.53 g/mol
LogP7.18
Rot. Bonds3

About N-tert-butyl-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethanimine

N-tert-butyl-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethanimine (PubChem CID 2852902) has the molecular formula C28H27NO and a molecular weight of 393.53 g/mol. Its IUPAC name is N-tert-butyl-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethanimine.

Molecular Properties

Compound NameN-tert-butyl-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethanimine
PubChem CID2852902
Molecular FormulaC28H27NO
Molecular Weight393.53 g/mol
Exact Mass393.21
IUPAC NameN-tert-butyl-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethanimine
SMILESCC1=C(c2ccccc2)Oc2ccccc2C1=C/C(=N/C(C)(C)C)c1ccccc1
InChIInChI=1S/C28H27NO/c1-20-24(19-25(29-28(2,3)4)21-13-7-5-8-14-21)23-17-11-12-18-26(23)30-27(20)22-15-9-6-10-16-22/h5-19H,1-4H3/b24-19?,29-25-
InChIKeySBTLKVPNVNCFSM-LDLPDXQUSA-N
XLogP7.18
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethanimine?
The IUPAC name of N-tert-butyl-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethanimine (CID 2852902) is N-tert-butyl-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethanimine.
What is the SMILES notation for N-tert-butyl-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethanimine?
The canonical SMILES for N-tert-butyl-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethanimine is CC1=C(c2ccccc2)Oc2ccccc2C1=C/C(=N/C(C)(C)C)c1ccccc1.
What is the InChIKey of N-tert-butyl-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethanimine?
The InChIKey is SBTLKVPNVNCFSM-LDLPDXQUSA-N. The full InChI is InChI=1S/C28H27NO/c1-20-24(19-25(29-28(2,3)4)21-13-7-5-8-14-21)23-17-11-12-18-26(23)30-27(20)22-15-9-6-10-16-22/h5-19H,1-4H3/b24-19?,29-25-.
What are the key properties of N-tert-butyl-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethanimine?
N-tert-butyl-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethanimine has a molecular weight of 393.53 g/mol, XLogP of 7.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethanimine is sourced from PubChem (CID 2852902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).