5-(benzo[c]phenanthren-5-ylmethyl)phenanthridin-6-one

C32H21NO — CID 157155830

IUPAC5-(benzo[c]phenanthren-5-ylmethyl)phenanthridin-6-one
SMILESO=c1c2ccccc2c2ccccc2n1Cc1cc2ccc3ccccc3c2c2ccccc12
InChIInChI=1S/C32H21NO/c34-32-29-15-6-4-12-26(29)27-13-7-8-16-30(27)33(32)20-23-19-22-18-17-21-9-1-2-11-25(21)31(22)28-14-5-3-10-24(23)28/h1-19H,20H2
InChIKeyZTOTVEWILATDMQ-UHFFFAOYSA-N
MW435.53 g/mol
LogP7.66
Rot. Bonds2

About 5-(benzo[c]phenanthren-5-ylmethyl)phenanthridin-6-one

5-(benzo[c]phenanthren-5-ylmethyl)phenanthridin-6-one (PubChem CID 157155830) has the molecular formula C32H21NO and a molecular weight of 435.53 g/mol. Its IUPAC name is 5-(benzo[c]phenanthren-5-ylmethyl)phenanthridin-6-one.

Molecular Properties

Compound Name5-(benzo[c]phenanthren-5-ylmethyl)phenanthridin-6-one
PubChem CID157155830
Molecular FormulaC32H21NO
Molecular Weight435.53 g/mol
Exact Mass435.16
IUPAC Name5-(benzo[c]phenanthren-5-ylmethyl)phenanthridin-6-one
SMILESO=c1c2ccccc2c2ccccc2n1Cc1cc2ccc3ccccc3c2c2ccccc12
InChIInChI=1S/C32H21NO/c34-32-29-15-6-4-12-26(29)27-13-7-8-16-30(27)33(32)20-23-19-22-18-17-21-9-1-2-11-25(21)31(22)28-14-5-3-10-24(23)28/h1-19H,20H2
InChIKeyZTOTVEWILATDMQ-UHFFFAOYSA-N
XLogP7.66
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-(benzo[c]phenanthren-5-ylmethyl)phenanthridin-6-one?
The IUPAC name of 5-(benzo[c]phenanthren-5-ylmethyl)phenanthridin-6-one (CID 157155830) is 5-(benzo[c]phenanthren-5-ylmethyl)phenanthridin-6-one.
What is the SMILES notation for 5-(benzo[c]phenanthren-5-ylmethyl)phenanthridin-6-one?
The canonical SMILES for 5-(benzo[c]phenanthren-5-ylmethyl)phenanthridin-6-one is O=c1c2ccccc2c2ccccc2n1Cc1cc2ccc3ccccc3c2c2ccccc12.
What is the InChIKey of 5-(benzo[c]phenanthren-5-ylmethyl)phenanthridin-6-one?
The InChIKey is ZTOTVEWILATDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21NO/c34-32-29-15-6-4-12-26(29)27-13-7-8-16-30(27)33(32)20-23-19-22-18-17-21-9-1-2-11-25(21)31(22)28-14-5-3-10-24(23)28/h1-19H,20H2.
What are the key properties of 5-(benzo[c]phenanthren-5-ylmethyl)phenanthridin-6-one?
5-(benzo[c]phenanthren-5-ylmethyl)phenanthridin-6-one has a molecular weight of 435.53 g/mol, XLogP of 7.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzo[c]phenanthren-5-ylmethyl)phenanthridin-6-one is sourced from PubChem (CID 157155830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).