3,8-dimethyl-6-octoxyphenanthridine

C23H29NO — CID 59683845

IUPAC3,8-dimethyl-6-octoxyphenanthridine
SMILESCCCCCCCCOc1nc2cc(C)ccc2c2ccc(C)cc12
InChIInChI=1S/C23H29NO/c1-4-5-6-7-8-9-14-25-23-21-15-17(2)10-12-19(21)20-13-11-18(3)16-22(20)24-23/h10-13,15-16H,4-9,14H2,1-3H3
InChIKeyQERKNJBDVFRMEX-UHFFFAOYSA-N
MW335.49 g/mol
LogP6.74
Rot. Bonds8

About 3,8-dimethyl-6-octoxyphenanthridine

3,8-dimethyl-6-octoxyphenanthridine (PubChem CID 59683845) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is 3,8-dimethyl-6-octoxyphenanthridine.

Molecular Properties

Compound Name3,8-dimethyl-6-octoxyphenanthridine
PubChem CID59683845
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name3,8-dimethyl-6-octoxyphenanthridine
SMILESCCCCCCCCOc1nc2cc(C)ccc2c2ccc(C)cc12
InChIInChI=1S/C23H29NO/c1-4-5-6-7-8-9-14-25-23-21-15-17(2)10-12-19(21)20-13-11-18(3)16-22(20)24-23/h10-13,15-16H,4-9,14H2,1-3H3
InChIKeyQERKNJBDVFRMEX-UHFFFAOYSA-N
XLogP6.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,10-diheptoxy-2,6-dimethylanthracene
CID 123170872
9,10-dihexadecoxy-2-methylanthracene
CID 139930329
2,3-didodecoxyquinoxaline
CID 139934452
3,8-dibromo-6-(2-octyldodecoxy)phenanthridine
CID 132536073
3-nonoxy-8-octoxy-4,7-phenanthroline
CID 21267382
3-decoxy-8-undecoxy-4,7-phenanthroline
CID 21267174
2,3-didecoxythieno[3,4-b]pyrazine
CID 21200017
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
1-(5-amino-8-methylbenzo[f][1,7]naphthyridin-2-yl)undecan-1-ol
CID 66875261
4-dodecoxy-5-(4-dodecoxy-2-methyl-1,3-thiazol-5-yl)-2-methyl-1,3-thiazole
CID 59523074
1,4-dimethyl-2-pentoxybenzene
CID 59184214
3,6-dimethyl-9-(4-octoxyphenyl)carbazole
CID 21042265

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-6-octoxyphenanthridine?
The IUPAC name of 3,8-dimethyl-6-octoxyphenanthridine (CID 59683845) is 3,8-dimethyl-6-octoxyphenanthridine.
What is the SMILES notation for 3,8-dimethyl-6-octoxyphenanthridine?
The canonical SMILES for 3,8-dimethyl-6-octoxyphenanthridine is CCCCCCCCOc1nc2cc(C)ccc2c2ccc(C)cc12.
What is the InChIKey of 3,8-dimethyl-6-octoxyphenanthridine?
The InChIKey is QERKNJBDVFRMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO/c1-4-5-6-7-8-9-14-25-23-21-15-17(2)10-12-19(21)20-13-11-18(3)16-22(20)24-23/h10-13,15-16H,4-9,14H2,1-3H3.
What are the key properties of 3,8-dimethyl-6-octoxyphenanthridine?
3,8-dimethyl-6-octoxyphenanthridine has a molecular weight of 335.49 g/mol, XLogP of 6.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-6-octoxyphenanthridine is sourced from PubChem (CID 59683845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).