5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine-2,8-diol

C30H30N2O3 — CID 10412249

IUPAC5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine-2,8-diol
SMILESOc1ccc2c(c1)CN(c1ccc(OCCN3CCCCC3)cc1)c1c-2ccc2cc(O)ccc12
InChIInChI=1S/C30H30N2O3/c33-24-8-13-28-21(18-24)4-11-29-27-12-7-25(34)19-22(27)20-32(30(28)29)23-5-9-26(10-6-23)35-17-16-31-14-2-1-3-15-31/h4-13,18-19,33-34H,1-3,14-17,20H2
InChIKeyWDHIYKZHKBKYCY-UHFFFAOYSA-N
MW466.58 g/mol
LogP6.43
Rot. Bonds5

About 5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine-2,8-diol

5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine-2,8-diol (PubChem CID 10412249) has the molecular formula C30H30N2O3 and a molecular weight of 466.58 g/mol. Its IUPAC name is 5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine-2,8-diol.

Molecular Properties

Compound Name5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine-2,8-diol
PubChem CID10412249
Molecular FormulaC30H30N2O3
Molecular Weight466.58 g/mol
Exact Mass466.23
IUPAC Name5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine-2,8-diol
SMILESOc1ccc2c(c1)CN(c1ccc(OCCN3CCCCC3)cc1)c1c-2ccc2cc(O)ccc12
InChIInChI=1S/C30H30N2O3/c33-24-8-13-28-21(18-24)4-11-29-27-12-7-25(34)19-22(27)20-32(30(28)29)23-5-9-26(10-6-23)35-17-16-31-14-2-1-3-15-31/h4-13,18-19,33-34H,1-3,14-17,20H2
InChIKeyWDHIYKZHKBKYCY-UHFFFAOYSA-N
XLogP6.43
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine-2,8-diol?
The IUPAC name of 5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine-2,8-diol (CID 10412249) is 5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine-2,8-diol.
What is the SMILES notation for 5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine-2,8-diol?
The canonical SMILES for 5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine-2,8-diol is Oc1ccc2c(c1)CN(c1ccc(OCCN3CCCCC3)cc1)c1c-2ccc2cc(O)ccc12.
What is the InChIKey of 5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine-2,8-diol?
The InChIKey is WDHIYKZHKBKYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O3/c33-24-8-13-28-21(18-24)4-11-29-27-12-7-25(34)19-22(27)20-32(30(28)29)23-5-9-26(10-6-23)35-17-16-31-14-2-1-3-15-31/h4-13,18-19,33-34H,1-3,14-17,20H2.
What are the key properties of 5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine-2,8-diol?
5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine-2,8-diol has a molecular weight of 466.58 g/mol, XLogP of 6.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-piperidin-1-ylethoxy)phenyl]-6H-benzo[c]phenanthridine-2,8-diol is sourced from PubChem (CID 10412249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).