4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline

C28H25NO2 — CID 23363453

IUPAC4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline
SMILESCOc1ccc2c3c(ccc2c1)OC(c1ccccc1)(c1ccc(N(C)C)cc1)C=C3
InChIInChI=1S/C28H25NO2/c1-29(2)23-12-10-22(11-13-23)28(21-7-5-4-6-8-21)18-17-26-25-15-14-24(30-3)19-20(25)9-16-27(26)31-28/h4-19H,1-3H3
InChIKeyRRPMWGMVAFFORP-UHFFFAOYSA-N
MW407.51 g/mol
LogP6.26
Rot. Bonds4

About 4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline

4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline (PubChem CID 23363453) has the molecular formula C28H25NO2 and a molecular weight of 407.51 g/mol. Its IUPAC name is 4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline
PubChem CID23363453
Molecular FormulaC28H25NO2
Molecular Weight407.51 g/mol
Exact Mass407.19
IUPAC Name4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline
SMILESCOc1ccc2c3c(ccc2c1)OC(c1ccccc1)(c1ccc(N(C)C)cc1)C=C3
InChIInChI=1S/C28H25NO2/c1-29(2)23-12-10-22(11-13-23)28(21-7-5-4-6-8-21)18-17-26-25-15-14-24(30-3)19-20(25)9-16-27(26)31-28/h4-19H,1-3H3
InChIKeyRRPMWGMVAFFORP-UHFFFAOYSA-N
XLogP6.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline (CID 23363453) is 4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline is COc1ccc2c3c(ccc2c1)OC(c1ccccc1)(c1ccc(N(C)C)cc1)C=C3.
What is the InChIKey of 4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline?
The InChIKey is RRPMWGMVAFFORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO2/c1-29(2)23-12-10-22(11-13-23)28(21-7-5-4-6-8-21)18-17-26-25-15-14-24(30-3)19-20(25)9-16-27(26)31-28/h4-19H,1-3H3.
What are the key properties of 4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline?
4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline has a molecular weight of 407.51 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline is sourced from PubChem (CID 23363453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).