N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine

C23H25N3O2 — CID 15658179

IUPACN-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc2c(ccc3c4ccc(OC)cc4c(NCCN(C)C)nc23)c1
InChIInChI=1S/C23H25N3O2/c1-26(2)12-11-24-23-21-14-17(28-4)7-10-19(21)20-8-5-15-13-16(27-3)6-9-18(15)22(20)25-23/h5-10,13-14H,11-12H2,1-4H3,(H,24,25)
InChIKeyULEGGBUNYFBFCV-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.53
Rot. Bonds6

About N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine

N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 15658179) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID15658179
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCOc1ccc2c(ccc3c4ccc(OC)cc4c(NCCN(C)C)nc23)c1
InChIInChI=1S/C23H25N3O2/c1-26(2)12-11-24-23-21-14-17(28-4)7-10-19(21)20-8-5-15-13-16(27-3)6-9-18(15)22(20)25-23/h5-10,13-14H,11-12H2,1-4H3,(H,24,25)
InChIKeyULEGGBUNYFBFCV-UHFFFAOYSA-N
XLogP4.53
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.53
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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Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine (CID 15658179) is N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine is COc1ccc2c(ccc3c4ccc(OC)cc4c(NCCN(C)C)nc23)c1.
What is the InChIKey of N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is ULEGGBUNYFBFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-26(2)12-11-24-23-21-14-17(28-4)7-10-19(21)20-8-5-15-13-16(27-3)6-9-18(15)22(20)25-23/h5-10,13-14H,11-12H2,1-4H3,(H,24,25).
What are the key properties of N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine?
N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 375.47 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 15658179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).