11-(2,4,6-trimethoxyphenyl)benzo[c]phenanthridin-6-amine

C26H22N2O3 — CID 11361877

IUPAC11-(2,4,6-trimethoxyphenyl)benzo[c]phenanthridin-6-amine
SMILESCOc1cc(OC)c(-c2cc3ccccc3c3nc(N)c4ccccc4c23)c(OC)c1
InChIInChI=1S/C26H22N2O3/c1-29-16-13-21(30-2)24(22(14-16)31-3)20-12-15-8-4-5-9-17(15)25-23(20)18-10-6-7-11-19(18)26(27)28-25/h4-14H,1-3H3,(H2,27,28)
InChIKeyYDRIEHNDYXKZTN-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.82
Rot. Bonds4

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

11-(2,4,6-trimethoxyphenyl)benzo[c]phenanthridin-6-amine (PubChem CID 11361877) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is 11-(2,4,6-trimethoxyphenyl)benzo[c]phenanthridin-6-amine.

Molecular Properties

Compound Name11-(2,4,6-trimethoxyphenyl)benzo[c]phenanthridin-6-amine
PubChem CID11361877
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name11-(2,4,6-trimethoxyphenyl)benzo[c]phenanthridin-6-amine
SMILESCOc1cc(OC)c(-c2cc3ccccc3c3nc(N)c4ccccc4c23)c(OC)c1
InChIInChI=1S/C26H22N2O3/c1-29-16-13-21(30-2)24(22(14-16)31-3)20-12-15-8-4-5-9-17(15)25-23(20)18-10-6-7-11-19(18)26(27)28-25/h4-14H,1-3H3,(H2,27,28)
InChIKeyYDRIEHNDYXKZTN-UHFFFAOYSA-N
XLogP5.82
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

11-(2,4,5-trimethoxyphenyl)benzo[c]phenanthridin-6-amine
CID 11260750
1-(2,4,6-trimethoxyphenyl)naphthalene
CID 71363627
6,13-bis(2,4,6-trimethoxyphenyl)pentacene
CID 141153743
3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol
CID 71141860
3-methoxy-1-(3-methoxynaphthalen-1-yl)oxynaphthalene
CID 138737035
11,15-dimethoxy-2,13-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 102337988
6-methyl-5-(2,4,6-trimethoxyphenyl)pyridin-2-amine
CID 79020265
3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane
CID 142924740
2-amino-6-(2-fluorophenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile
CID 5119568
1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene
CID 21195641
2-fluoro-6-(2,4,6-trimethoxyphenyl)aniline
CID 107602929
2-amino-6-(4-methoxyphenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3375509

Frequently Asked Questions

What is the IUPAC name of 11-(2,4,6-trimethoxyphenyl)benzo[c]phenanthridin-6-amine?
The IUPAC name of 11-(2,4,6-trimethoxyphenyl)benzo[c]phenanthridin-6-amine (CID 11361877) is 11-(2,4,6-trimethoxyphenyl)benzo[c]phenanthridin-6-amine.
What is the SMILES notation for 11-(2,4,6-trimethoxyphenyl)benzo[c]phenanthridin-6-amine?
The canonical SMILES for 11-(2,4,6-trimethoxyphenyl)benzo[c]phenanthridin-6-amine is COc1cc(OC)c(-c2cc3ccccc3c3nc(N)c4ccccc4c23)c(OC)c1.
What is the InChIKey of 11-(2,4,6-trimethoxyphenyl)benzo[c]phenanthridin-6-amine?
The InChIKey is YDRIEHNDYXKZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-29-16-13-21(30-2)24(22(14-16)31-3)20-12-15-8-4-5-9-17(15)25-23(20)18-10-6-7-11-19(18)26(27)28-25/h4-14H,1-3H3,(H2,27,28).
What are the key properties of 11-(2,4,6-trimethoxyphenyl)benzo[c]phenanthridin-6-amine?
11-(2,4,6-trimethoxyphenyl)benzo[c]phenanthridin-6-amine has a molecular weight of 410.47 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,4,6-trimethoxyphenyl)benzo[c]phenanthridin-6-amine is sourced from PubChem (CID 11361877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).