ethane;2-methyl-7-phenyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridine;molecular hydrogen

C24H30N2 — CID 142445895

IUPACethane;2-methyl-7-phenyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridine;molecular hydrogen
SMILESCC.Cc1cc2c(ccc3nc(-c4ccccc4)c4c(c32)CCCC4)[nH]1.[H][H].[H][H]
InChIInChI=1S/C22H20N2.C2H6.2H2/c1-14-13-18-19(23-14)11-12-20-21(18)16-9-5-6-10-17(16)22(24-20)15-7-3-2-4-8-15;1-2;;/h2-4,7-8,11-13,23H,5-6,9-10H2,1H3;1-2H3;2*1H
InChIKeyURTVTIPLYNFVTA-UHFFFAOYSA-N
MW346.52 g/mol
LogP7.09
Rot. Bonds1

About ethane;2-methyl-7-phenyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridine;molecular hydrogen

ethane;2-methyl-7-phenyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridine;molecular hydrogen (PubChem CID 142445895) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is ethane;2-methyl-7-phenyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridine;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-methyl-7-phenyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridine;molecular hydrogen
PubChem CID142445895
Molecular FormulaC24H30N2
Molecular Weight346.52 g/mol
Exact Mass346.24
IUPAC Nameethane;2-methyl-7-phenyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridine;molecular hydrogen
SMILESCC.Cc1cc2c(ccc3nc(-c4ccccc4)c4c(c32)CCCC4)[nH]1.[H][H].[H][H]
InChIInChI=1S/C22H20N2.C2H6.2H2/c1-14-13-18-19(23-14)11-12-20-21(18)16-9-5-6-10-17(16)22(24-20)15-7-3-2-4-8-15;1-2;;/h2-4,7-8,11-13,23H,5-6,9-10H2,1H3;1-2H3;2*1H
InChIKeyURTVTIPLYNFVTA-UHFFFAOYSA-N
XLogP7.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;2-methyl-7-phenyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridine;molecular hydrogen with MolForge

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Related Compounds

2-fluoro-4-(2-methyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol
CID 142445420
8-methyl-4-phenyl-2,3-dihydro-1H-cyclopenta[c]quinoline
CID 135030288
5-pyridin-4-yl-1,2,3,4-tetrahydrobenzo[a]phenanthridine
CID 1202976
9-(3-chlorophenyl)-10-azatetracyclo[9.8.0.02,8.014,19]nonadeca-1(11),2(8),9,12,14,16,18-heptaene
CID 102408042
5-(4-methylsulfanylphenyl)-1,2,3,4-tetrahydrobenzo[a]phenanthridine;hydrochloride
CID 146050890
8-methyl-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 2754456
4-(3-methyl-8,9,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol
CID 142445290
N'-hydroxy-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)benzenecarboximidamide
CID 142445480
2-[N-(2-hydroxyethyl)-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)anilino]ethanol
CID 155151677
5-(2-methyl-1H-indol-3-yl)-1,2,3,4-tetrahydronaphtho[2,1-c][2,7]naphthyridine
CID 110534861
2-methanimidoyl-4-[2-[(4-methylpiperazin-1-yl)methyl]-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridin-7-yl]aniline
CID 142445263
7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
CID 150584799

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-7-phenyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridine;molecular hydrogen?
The IUPAC name of ethane;2-methyl-7-phenyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridine;molecular hydrogen (CID 142445895) is ethane;2-methyl-7-phenyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridine;molecular hydrogen.
What is the SMILES notation for ethane;2-methyl-7-phenyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridine;molecular hydrogen?
The canonical SMILES for ethane;2-methyl-7-phenyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridine;molecular hydrogen is CC.Cc1cc2c(ccc3nc(-c4ccccc4)c4c(c32)CCCC4)[nH]1.[H][H].[H][H].
What is the InChIKey of ethane;2-methyl-7-phenyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridine;molecular hydrogen?
The InChIKey is URTVTIPLYNFVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2.C2H6.2H2/c1-14-13-18-19(23-14)11-12-20-21(18)16-9-5-6-10-17(16)22(24-20)15-7-3-2-4-8-15;1-2;;/h2-4,7-8,11-13,23H,5-6,9-10H2,1H3;1-2H3;2*1H.
What are the key properties of ethane;2-methyl-7-phenyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridine;molecular hydrogen?
ethane;2-methyl-7-phenyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridine;molecular hydrogen has a molecular weight of 346.52 g/mol, XLogP of 7.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-7-phenyl-8,9,10,11-tetrahydro-3H-pyrrolo[3,2-a]phenanthridine;molecular hydrogen is sourced from PubChem (CID 142445895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).