2,9-dimethoxy-11-(3,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine

C28H26N2O5 — CID 11444510

IUPAC2,9-dimethoxy-11-(3,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine
SMILESCOc1ccc2c(c1)cc(-c1cc(OC)c(OC)c(OC)c1)c1c3cc(OC)ccc3c(N)nc21
InChIInChI=1S/C28H26N2O5/c1-31-17-6-8-19-15(10-17)11-21(16-12-23(33-3)27(35-5)24(13-16)34-4)25-22-14-18(32-2)7-9-20(22)28(29)30-26(19)25/h6-14H,1-5H3,(H2,29,30)
InChIKeyQBAMANBMRJIDJB-UHFFFAOYSA-N
MW470.53 g/mol
LogP5.83
Rot. Bonds6

About 2,9-dimethoxy-11-(3,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine

2,9-dimethoxy-11-(3,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine (PubChem CID 11444510) has the molecular formula C28H26N2O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is 2,9-dimethoxy-11-(3,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine.

Molecular Properties

Compound Name2,9-dimethoxy-11-(3,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine
PubChem CID11444510
Molecular FormulaC28H26N2O5
Molecular Weight470.53 g/mol
Exact Mass470.18
IUPAC Name2,9-dimethoxy-11-(3,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine
SMILESCOc1ccc2c(c1)cc(-c1cc(OC)c(OC)c(OC)c1)c1c3cc(OC)ccc3c(N)nc21
InChIInChI=1S/C28H26N2O5/c1-31-17-6-8-19-15(10-17)11-21(16-12-23(33-3)27(35-5)24(13-16)34-4)25-22-14-18(32-2)7-9-20(22)28(29)30-26(19)25/h6-14H,1-5H3,(H2,29,30)
InChIKeyQBAMANBMRJIDJB-UHFFFAOYSA-N
XLogP5.83
TPSA85.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-[2-(3,4,5-Trimethoxyphenyl)ethyl]quinazoline-2,4-diamine
CID 490664
3-(3,4-Dimethoxy-2-methylphenyl)-6,7-dimethoxy-1-isoquinolinylamine
CID 1006316
11-(3,4,5-Trimethoxyphenyl)benzo[c]phenanthridin-6-amine
CID 9801662
11-(2,4-Dimethoxyphenyl)benzo[c]phenanthridin-6-amine
CID 9913068
3-(3,4-Dimethoxyphenyl)-6-methylisoquinolin-1-amine
CID 24951694
6,7-Dimethoxy-3-(3-methoxyphenyl)isoquinolin-1-amine
CID 46931244
6,7-Dimethoxy-3-phenylisoquinolin-1-amine
CID 49844147
3-(3,5-Dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine
CID 49844150
6,7-Dimethoxy-3-(2-methylphenyl)isoquinolin-1-amine
CID 49844152
3-(3,4-Dimethoxyphenyl)quinolin-2-amine
CID 1480774
6-Methyl-7-(3,4,5-trimethoxyphenyl)quinazoline-2,4-diamine
CID 67606974
N-(2,3-dimethoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)-N',N'-dimethylethane-1,2-diamine
CID 381592

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethoxy-11-(3,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine?
The IUPAC name of 2,9-dimethoxy-11-(3,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine (CID 11444510) is 2,9-dimethoxy-11-(3,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine.
What is the SMILES notation for 2,9-dimethoxy-11-(3,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine?
The canonical SMILES for 2,9-dimethoxy-11-(3,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine is COc1ccc2c(c1)cc(-c1cc(OC)c(OC)c(OC)c1)c1c3cc(OC)ccc3c(N)nc21.
What is the InChIKey of 2,9-dimethoxy-11-(3,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine?
The InChIKey is QBAMANBMRJIDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O5/c1-31-17-6-8-19-15(10-17)11-21(16-12-23(33-3)27(35-5)24(13-16)34-4)25-22-14-18(32-2)7-9-20(22)28(29)30-26(19)25/h6-14H,1-5H3,(H2,29,30).
What are the key properties of 2,9-dimethoxy-11-(3,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine?
2,9-dimethoxy-11-(3,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine has a molecular weight of 470.53 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethoxy-11-(3,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine is sourced from PubChem (CID 11444510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).