5,7-dihydro-4H-pyrrolo[3,2-i]phenanthridine

C15H12N2 — CID 101239106

IUPAC5,7-dihydro-4H-pyrrolo[3,2-i]phenanthridine
SMILESC1=CC2=c3ccc4c(c3CNC2=CC1)C=CN=4
InChIInChI=1S/C15H12N2/c1-2-4-14-11(3-1)10-5-6-15-12(7-8-16-15)13(10)9-17-14/h1,3-8,17H,2,9H2
InChIKeyPKPKZQXNDQIQSO-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.39
Rot. Bonds

About 5,7-dihydro-4H-pyrrolo[3,2-i]phenanthridine

5,7-dihydro-4H-pyrrolo[3,2-i]phenanthridine (PubChem CID 101239106) has the molecular formula C15H12N2 and a molecular weight of 220.28 g/mol. Its IUPAC name is 5,7-dihydro-4H-pyrrolo[3,2-i]phenanthridine.

Molecular Properties

Compound Name5,7-dihydro-4H-pyrrolo[3,2-i]phenanthridine
PubChem CID101239106
Molecular FormulaC15H12N2
Molecular Weight220.28 g/mol
Exact Mass220.10
IUPAC Name5,7-dihydro-4H-pyrrolo[3,2-i]phenanthridine
SMILESC1=CC2=c3ccc4c(c3CNC2=CC1)C=CN=4
InChIInChI=1S/C15H12N2/c1-2-4-14-11(3-1)10-5-6-15-12(7-8-16-15)13(10)9-17-14/h1,3-8,17H,2,9H2
InChIKeyPKPKZQXNDQIQSO-UHFFFAOYSA-N
XLogP1.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Imidazo[4,5-f]quinoline
CID 164569
1H-Pyrrolo[2,3-f]quinoline
CID 135645806
7H-pyrrolo[3,2-f]quinoxaline
CID 135788037
3H-Pyrrolo[3,2-f]quinoline-1-methanamine, N,N-dimethyl-
CID 135530303
Dihydropyrroloisoquinoline
CID 66919674
5h-Pyrrolo[2,3-f]indole
CID 69450160
Tetrahydroindolo[2,3-d]azepine
CID 87087142
Cyclopentaquinoxaline
CID 87519722
8H-pyrrolo[3,4-f][1,10]phenanthroline
CID 135415051
Pyrrolo[3,4-f]quinoline
CID 135463236
1H-Imidazo[4,5-f][1,10]phenanthroline
CID 135894299
9H-Pyrrolo[2,3-f]quinoxaline
CID 136219612

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydro-4H-pyrrolo[3,2-i]phenanthridine?
The IUPAC name of 5,7-dihydro-4H-pyrrolo[3,2-i]phenanthridine (CID 101239106) is 5,7-dihydro-4H-pyrrolo[3,2-i]phenanthridine.
What is the SMILES notation for 5,7-dihydro-4H-pyrrolo[3,2-i]phenanthridine?
The canonical SMILES for 5,7-dihydro-4H-pyrrolo[3,2-i]phenanthridine is C1=CC2=c3ccc4c(c3CNC2=CC1)C=CN=4.
What is the InChIKey of 5,7-dihydro-4H-pyrrolo[3,2-i]phenanthridine?
The InChIKey is PKPKZQXNDQIQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2/c1-2-4-14-11(3-1)10-5-6-15-12(7-8-16-15)13(10)9-17-14/h1,3-8,17H,2,9H2.
What are the key properties of 5,7-dihydro-4H-pyrrolo[3,2-i]phenanthridine?
5,7-dihydro-4H-pyrrolo[3,2-i]phenanthridine has a molecular weight of 220.28 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydro-4H-pyrrolo[3,2-i]phenanthridine is sourced from PubChem (CID 101239106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).