ethane;1,2,9,10-tetrahydro-1,10-phenanthroline

C22H42N2 — CID 91142071

IUPACethane;1,2,9,10-tetrahydro-1,10-phenanthroline
SMILESC1=Cc2ccc3c(c2NC1)NCC=C3.CC.CC.CC.CC.CC
InChIInChI=1S/C12H12N2.5C2H6/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;5*1-2/h1-6,13-14H,7-8H2;5*1-2H3
InChIKeyOBJZCQVUKJYNTF-UHFFFAOYSA-N
MW334.59 g/mol
LogP7.70
Rot. Bonds

About ethane;1,2,9,10-tetrahydro-1,10-phenanthroline

ethane;1,2,9,10-tetrahydro-1,10-phenanthroline (PubChem CID 91142071) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is ethane;1,2,9,10-tetrahydro-1,10-phenanthroline.

Molecular Properties

Compound Nameethane;1,2,9,10-tetrahydro-1,10-phenanthroline
PubChem CID91142071
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Nameethane;1,2,9,10-tetrahydro-1,10-phenanthroline
SMILESC1=Cc2ccc3c(c2NC1)NCC=C3.CC.CC.CC.CC.CC
InChIInChI=1S/C12H12N2.5C2H6/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;5*1-2/h1-6,13-14H,7-8H2;5*1-2H3
InChIKeyOBJZCQVUKJYNTF-UHFFFAOYSA-N
XLogP7.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 57.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9,10-didehydro-1,2-dihydrobenzo[h]quinoline
CID 129268922
7-methyl-1,2-dihydroquinoline
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8-nitro-1,2-dihydroquinoline
CID 11008448
1,2-dihydroquinoline
CID 5231402
1,2-dihydroquinolin-8-ylimino-methyl-phenyl-λ4-sulfane
CID 123913697
1,2,11,12-tetrahydrobenzo[f][1,10]phenanthroline
CID 71133090
8-fluoro-9-methyl-2,3-dihydro-1H-1-benzazepine
CID 131973588
1,2-dihydropyrido[2,3-d]pyridazine
CID 123540466
1-methyl-6,7-dihydropyrazolo[5,4-b]pyridine
CID 143402530
1,2-dihydrochromeno[4,3-b]pyridin-5-one
CID 146170101
1-(1,2-dihydroquinolin-6-yl)butan-2-ol;ethane
CID 143267650
8-[4-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,2-dihydroquinoline
CID 146647331

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,9,10-tetrahydro-1,10-phenanthroline?
The IUPAC name of ethane;1,2,9,10-tetrahydro-1,10-phenanthroline (CID 91142071) is ethane;1,2,9,10-tetrahydro-1,10-phenanthroline.
What is the SMILES notation for ethane;1,2,9,10-tetrahydro-1,10-phenanthroline?
The canonical SMILES for ethane;1,2,9,10-tetrahydro-1,10-phenanthroline is C1=Cc2ccc3c(c2NC1)NCC=C3.CC.CC.CC.CC.CC.
What is the InChIKey of ethane;1,2,9,10-tetrahydro-1,10-phenanthroline?
The InChIKey is OBJZCQVUKJYNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.5C2H6/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;5*1-2/h1-6,13-14H,7-8H2;5*1-2H3.
What are the key properties of ethane;1,2,9,10-tetrahydro-1,10-phenanthroline?
ethane;1,2,9,10-tetrahydro-1,10-phenanthroline has a molecular weight of 334.59 g/mol, XLogP of 7.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,9,10-tetrahydro-1,10-phenanthroline is sourced from PubChem (CID 91142071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).