5,6,9,10-tetrahydrobenzo[b][1,10]phenanthroline

C16H14N2 — CID 175804629

IUPAC5,6,9,10-tetrahydrobenzo[b][1,10]phenanthroline
SMILESC1=c2cc3c(nc2=CCC1)-c1ncccc1CC3
InChIInChI=1S/C16H14N2/c1-2-6-14-12(4-1)10-13-8-7-11-5-3-9-17-15(11)16(13)18-14/h3-6,9-10H,1-2,7-8H2
InChIKeyMLLPHAJFNXMVGF-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.60
Rot. Bonds

About 5,6,9,10-tetrahydrobenzo[b][1,10]phenanthroline

5,6,9,10-tetrahydrobenzo[b][1,10]phenanthroline (PubChem CID 175804629) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5,6,9,10-tetrahydrobenzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name5,6,9,10-tetrahydrobenzo[b][1,10]phenanthroline
PubChem CID175804629
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name5,6,9,10-tetrahydrobenzo[b][1,10]phenanthroline
SMILESC1=c2cc3c(nc2=CCC1)-c1ncccc1CC3
InChIInChI=1S/C16H14N2/c1-2-6-14-12(4-1)10-13-8-7-11-5-3-9-17-15(11)16(13)18-14/h3-6,9-10H,1-2,7-8H2
InChIKeyMLLPHAJFNXMVGF-UHFFFAOYSA-N
XLogP1.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,6,9,10-tetrahydrobenzo[b][1,10]phenanthroline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaene
CID 14812683
13-(2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaen-13-yl)-2,5,21-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene
CID 11671375
2-ethyl-5,6-dihydro-1,10-phenanthroline;propane
CID 155743377
N-ethyl-5,6-dihydropyrido[3,2-h]quinazolin-2-amine
CID 70893965
5,6-dihydropyrido[3,2-h]quinazoline
CID 15783775
5,6-dihydro-1,7-phenanthroline
CID 69016308
8-(2-methylpropyl)-5,6-dihydroquinoline
CID 143067849
2-methylidene-4-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,11,13,15,17-octaene
CID 18715218
5H-cyclopenta[b]pyridin-7-ol
CID 141271537
N-[(1R)-1-phenylethyl]-5,6-dihydroquinolin-8-amine
CID 91247823
2-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]-5,6-dihydro-1,10-phenanthroline
CID 129266019
7-methyl-5,6-dihydrobenzo[h]quinoline
CID 126542796

Frequently Asked Questions

What is the IUPAC name of 5,6,9,10-tetrahydrobenzo[b][1,10]phenanthroline?
The IUPAC name of 5,6,9,10-tetrahydrobenzo[b][1,10]phenanthroline (CID 175804629) is 5,6,9,10-tetrahydrobenzo[b][1,10]phenanthroline.
What is the SMILES notation for 5,6,9,10-tetrahydrobenzo[b][1,10]phenanthroline?
The canonical SMILES for 5,6,9,10-tetrahydrobenzo[b][1,10]phenanthroline is C1=c2cc3c(nc2=CCC1)-c1ncccc1CC3.
What is the InChIKey of 5,6,9,10-tetrahydrobenzo[b][1,10]phenanthroline?
The InChIKey is MLLPHAJFNXMVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-2-6-14-12(4-1)10-13-8-7-11-5-3-9-17-15(11)16(13)18-14/h3-6,9-10H,1-2,7-8H2.
What are the key properties of 5,6,9,10-tetrahydrobenzo[b][1,10]phenanthroline?
5,6,9,10-tetrahydrobenzo[b][1,10]phenanthroline has a molecular weight of 234.30 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,9,10-tetrahydrobenzo[b][1,10]phenanthroline is sourced from PubChem (CID 175804629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).