3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-ylmethanimine

C16H12N2 — CID 160668641

IUPAC3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-ylmethanimine
SMILES[H]/N=C/[N+]1=[C-]c2ccc3c(c2C1)Cc1ccccc1-3
InChIInChI=1S/C16H12N2/c17-10-18-8-12-5-6-14-13-4-2-1-3-11(13)7-15(14)16(12)9-18/h1-6,10,17H,7,9H2/b17-10+
InChIKeyKFTNVHUUQCHWCU-LICLKQGHSA-N
MW232.29 g/mol
LogP2.69
Rot. Bonds1

About 3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-ylmethanimine

3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-ylmethanimine (PubChem CID 160668641) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-ylmethanimine.

Molecular Properties

Compound Name3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-ylmethanimine
PubChem CID160668641
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-ylmethanimine
SMILES[H]/N=C/[N+]1=[C-]c2ccc3c(c2C1)Cc1ccccc1-3
InChIInChI=1S/C16H12N2/c17-10-18-8-12-5-6-14-13-4-2-1-3-11(13)7-15(14)16(12)9-18/h1-6,10,17H,7,9H2/b17-10+
InChIKeyKFTNVHUUQCHWCU-LICLKQGHSA-N
XLogP2.69
TPSA26.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-yl)methanimine
CID 158278973
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
CID 160943205
2-methyl-11,12-dihydroindeno[2,1-a]fluorene
CID 91412368
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1-prop-2-enyl-9H-fluoren-2-amine
CID 67882523
1-carbamimidoyl-1-(9H-fluoren-1-yl)guanidine
CID 151786847
bis(9H-fluoren-1-yl)mercury
CID 154196677
1,3-dimethyl-11,12-dihydroindeno[2,1-a]fluorene
CID 59147149
9H-fluorene-1,2-disulfonic acid
CID 22770255
2-chloro-9H-fluoren-1-amine
CID 150811433
1-bromo-2-iodo-9H-fluorene
CID 69464063

Frequently Asked Questions

What is the IUPAC name of 3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-ylmethanimine?
The IUPAC name of 3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-ylmethanimine (CID 160668641) is 3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-ylmethanimine.
What is the SMILES notation for 3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-ylmethanimine?
The canonical SMILES for 3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-ylmethanimine is [H]/N=C/[N+]1=[C-]c2ccc3c(c2C1)Cc1ccccc1-3.
What is the InChIKey of 3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-ylmethanimine?
The InChIKey is KFTNVHUUQCHWCU-LICLKQGHSA-N. The full InChI is InChI=1S/C16H12N2/c17-10-18-8-12-5-6-14-13-4-2-1-3-11(13)7-15(14)16(12)9-18/h1-6,10,17H,7,9H2/b17-10+.
What are the key properties of 3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-ylmethanimine?
3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-ylmethanimine has a molecular weight of 232.29 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-dihydro-1H-indeno[2,1-e]isoindol-2-ium-3-id-2-ylmethanimine is sourced from PubChem (CID 160668641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).