2-[1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]-N-methylaniline

C28H25NO3 — CID 18189263

IUPAC2-[1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]-N-methylaniline
SMILESCNc1ccccc1-c1ccc2c(c1)C(c1cccc(OC)c1)Oc1cccc(OC)c1-2
InChIInChI=1S/C28H25NO3/c1-29-24-11-5-4-10-21(24)18-14-15-22-23(17-18)28(19-8-6-9-20(16-19)30-2)32-26-13-7-12-25(31-3)27(22)26/h4-17,28-29H,1-3H3
InChIKeyBRZDFVNZUQMULO-UHFFFAOYSA-N
MW423.51 g/mol
LogP6.56
Rot. Bonds5

About 2-[1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]-N-methylaniline

2-[1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]-N-methylaniline (PubChem CID 18189263) has the molecular formula C28H25NO3 and a molecular weight of 423.51 g/mol. Its IUPAC name is 2-[1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]-N-methylaniline.

Molecular Properties

Compound Name2-[1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]-N-methylaniline
PubChem CID18189263
Molecular FormulaC28H25NO3
Molecular Weight423.51 g/mol
Exact Mass423.18
IUPAC Name2-[1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]-N-methylaniline
SMILESCNc1ccccc1-c1ccc2c(c1)C(c1cccc(OC)c1)Oc1cccc(OC)c1-2
InChIInChI=1S/C28H25NO3/c1-29-24-11-5-4-10-21(24)18-14-15-22-23(17-18)28(19-8-6-9-20(16-19)30-2)32-26-13-7-12-25(31-3)27(22)26/h4-17,28-29H,1-3H3
InChIKeyBRZDFVNZUQMULO-UHFFFAOYSA-N
XLogP6.56
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]-N-methylaniline?
The IUPAC name of 2-[1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]-N-methylaniline (CID 18189263) is 2-[1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]-N-methylaniline.
What is the SMILES notation for 2-[1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]-N-methylaniline?
The canonical SMILES for 2-[1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]-N-methylaniline is CNc1ccccc1-c1ccc2c(c1)C(c1cccc(OC)c1)Oc1cccc(OC)c1-2.
What is the InChIKey of 2-[1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]-N-methylaniline?
The InChIKey is BRZDFVNZUQMULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO3/c1-29-24-11-5-4-10-21(24)18-14-15-22-23(17-18)28(19-8-6-9-20(16-19)30-2)32-26-13-7-12-25(31-3)27(22)26/h4-17,28-29H,1-3H3.
What are the key properties of 2-[1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]-N-methylaniline?
2-[1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]-N-methylaniline has a molecular weight of 423.51 g/mol, XLogP of 6.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methoxy-6-(3-methoxyphenyl)-6H-benzo[c]chromen-8-yl]-N-methylaniline is sourced from PubChem (CID 18189263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).