N-methyl-3-phenylcyclopenta[l]phenanthren-2-imine

C24H17N — CID 145280773

IUPACN-methyl-3-phenylcyclopenta[l]phenanthren-2-imine
SMILESC/N=C1\C=c2c(c3ccccc3c3ccccc23)=C1c1ccccc1
InChIInChI=1S/C24H17N/c1-25-22-15-21-19-13-6-5-11-17(19)18-12-7-8-14-20(18)24(21)23(22)16-9-3-2-4-10-16/h2-15H,1H3/b25-22+
InChIKeyVHYVNHHQWVTTEO-YYDJUVGSSA-N
MW319.41 g/mol
LogP4.06
Rot. Bonds1

About N-methyl-3-phenylcyclopenta[l]phenanthren-2-imine

N-methyl-3-phenylcyclopenta[l]phenanthren-2-imine (PubChem CID 145280773) has the molecular formula C24H17N and a molecular weight of 319.41 g/mol. Its IUPAC name is N-methyl-3-phenylcyclopenta[l]phenanthren-2-imine.

Molecular Properties

Compound NameN-methyl-3-phenylcyclopenta[l]phenanthren-2-imine
PubChem CID145280773
Molecular FormulaC24H17N
Molecular Weight319.41 g/mol
Exact Mass319.14
IUPAC NameN-methyl-3-phenylcyclopenta[l]phenanthren-2-imine
SMILESC/N=C1\C=c2c(c3ccccc3c3ccccc23)=C1c1ccccc1
InChIInChI=1S/C24H17N/c1-25-22-15-21-19-13-6-5-11-17(19)18-12-7-8-14-20(18)24(21)23(22)16-9-3-2-4-10-16/h2-15H,1H3/b25-22+
InChIKeyVHYVNHHQWVTTEO-YYDJUVGSSA-N
XLogP4.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

16-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaenylidene(triphenyl)-λ5-phosphane
CID 90471434
1,1'-biphenyl;hydroiodide
CID 66586334
4-methoxy-2,3-diphenylcyclopenta-2,4-dien-1-one
CID 14226957
2-methyl-1,3-diphenylisoindole
CID 3710956
benzene;1,1'-biphenyl;ethane
CID 158550617
benzene;1,4-diphenylbenzene;naphthalene;phenanthrene;pyrene;triphenylene
CID 174918554
1,1'-biphenyl;1,4-diphenylbenzene;ethane;naphthalene;phenanthrene
CID 158841778
9,10-diphenylanthracene;ethane;prop-1-ene
CID 90840257
CID 24862664
CID 24862664
1,1'-biphenyl;ethane;naphthalene
CID 160802649
1,1'-biphenyl;naphthalene;phenanthrene
CID 157410235
benzene;tris(1,1'-biphenyl)
CID 162155747

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenylcyclopenta[l]phenanthren-2-imine?
The IUPAC name of N-methyl-3-phenylcyclopenta[l]phenanthren-2-imine (CID 145280773) is N-methyl-3-phenylcyclopenta[l]phenanthren-2-imine.
What is the SMILES notation for N-methyl-3-phenylcyclopenta[l]phenanthren-2-imine?
The canonical SMILES for N-methyl-3-phenylcyclopenta[l]phenanthren-2-imine is C/N=C1\C=c2c(c3ccccc3c3ccccc23)=C1c1ccccc1.
What is the InChIKey of N-methyl-3-phenylcyclopenta[l]phenanthren-2-imine?
The InChIKey is VHYVNHHQWVTTEO-YYDJUVGSSA-N. The full InChI is InChI=1S/C24H17N/c1-25-22-15-21-19-13-6-5-11-17(19)18-12-7-8-14-20(18)24(21)23(22)16-9-3-2-4-10-16/h2-15H,1H3/b25-22+.
What are the key properties of N-methyl-3-phenylcyclopenta[l]phenanthren-2-imine?
N-methyl-3-phenylcyclopenta[l]phenanthren-2-imine has a molecular weight of 319.41 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenylcyclopenta[l]phenanthren-2-imine is sourced from PubChem (CID 145280773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).