2-methoxy-1-(2-methoxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridine

C48H36N2O2 — CID 132522135

IUPAC2-methoxy-1-(2-methoxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridine
SMILESCOc1ccc2c(c1-c1c(OC)ccc3c1-c1nc4ccccc4c(-c4ccccc4)c1CC3)-c1nc3ccccc3c(-c3ccccc3)c1CC2
InChIInChI=1S/C48H36N2O2/c1-51-39-27-23-31-21-25-35-41(29-13-5-3-6-14-29)33-17-9-11-19-37(33)49-47(35)43(31)45(39)46-40(52-2)28-24-32-22-26-36-42(30-15-7-4-8-16-30)34-18-10-12-20-38(34)50-48(36)44(32)46/h3-20,23-24,27-28H,21-22,25-26H2,1-2H3
InChIKeyDWVVAAXJOWDXSW-UHFFFAOYSA-N
MW672.83 g/mol
LogP11.33
Rot. Bonds5

About 2-methoxy-1-(2-methoxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridine

2-methoxy-1-(2-methoxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridine (PubChem CID 132522135) has the molecular formula C48H36N2O2 and a molecular weight of 672.83 g/mol. Its IUPAC name is 2-methoxy-1-(2-methoxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridine.

Molecular Properties

Compound Name2-methoxy-1-(2-methoxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridine
PubChem CID132522135
Molecular FormulaC48H36N2O2
Molecular Weight672.83 g/mol
Exact Mass672.28
IUPAC Name2-methoxy-1-(2-methoxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridine
SMILESCOc1ccc2c(c1-c1c(OC)ccc3c1-c1nc4ccccc4c(-c4ccccc4)c1CC3)-c1nc3ccccc3c(-c3ccccc3)c1CC2
InChIInChI=1S/C48H36N2O2/c1-51-39-27-23-31-21-25-35-41(29-13-5-3-6-14-29)33-17-9-11-19-37(33)49-47(35)43(31)45(39)46-40(52-2)28-24-32-22-26-36-42(30-15-7-4-8-16-30)34-18-10-12-20-38(34)50-48(36)44(32)46/h3-20,23-24,27-28H,21-22,25-26H2,1-2H3
InChIKeyDWVVAAXJOWDXSW-UHFFFAOYSA-N
XLogP11.33
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.83
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2-methoxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridine?
The IUPAC name of 2-methoxy-1-(2-methoxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridine (CID 132522135) is 2-methoxy-1-(2-methoxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridine.
What is the SMILES notation for 2-methoxy-1-(2-methoxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridine?
The canonical SMILES for 2-methoxy-1-(2-methoxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridine is COc1ccc2c(c1-c1c(OC)ccc3c1-c1nc4ccccc4c(-c4ccccc4)c1CC3)-c1nc3ccccc3c(-c3ccccc3)c1CC2.
What is the InChIKey of 2-methoxy-1-(2-methoxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridine?
The InChIKey is DWVVAAXJOWDXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2O2/c1-51-39-27-23-31-21-25-35-41(29-13-5-3-6-14-29)33-17-9-11-19-37(33)49-47(35)43(31)45(39)46-40(52-2)28-24-32-22-26-36-42(30-15-7-4-8-16-30)34-18-10-12-20-38(34)50-48(36)44(32)46/h3-20,23-24,27-28H,21-22,25-26H2,1-2H3.
What are the key properties of 2-methoxy-1-(2-methoxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridine?
2-methoxy-1-(2-methoxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridine has a molecular weight of 672.83 g/mol, XLogP of 11.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2-methoxy-7-phenyl-5,6-dihydrobenzo[c]acridin-1-yl)-7-phenyl-5,6-dihydrobenzo[c]acridine is sourced from PubChem (CID 132522135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).