ethane;9-(6H-pyrido[2,1-a]isoindol-5-ium-9-yl)carbazole

C26H23N2+ — CID 156863063

IUPACethane;9-(6H-pyrido[2,1-a]isoindol-5-ium-9-yl)carbazole
SMILESCC.c1cc[n+]2c(c1)-c1cc(-n3c4ccccc4c4ccccc43)ccc1C2
InChIInChI=1S/C24H17N2.C2H6/c1-3-10-23-19(7-1)20-8-2-4-11-24(20)26(23)18-13-12-17-16-25-14-6-5-9-22(25)21(17)15-18;1-2/h1-15H,16H2;1-2H3/q+1;
InChIKeyMMKCMJBOAVTREF-UHFFFAOYSA-N
MW363.48 g/mol
LogP6.13
Rot. Bonds1

About ethane;9-(6H-pyrido[2,1-a]isoindol-5-ium-9-yl)carbazole

ethane;9-(6H-pyrido[2,1-a]isoindol-5-ium-9-yl)carbazole (PubChem CID 156863063) has the molecular formula C26H23N2+ and a molecular weight of 363.48 g/mol. Its IUPAC name is ethane;9-(6H-pyrido[2,1-a]isoindol-5-ium-9-yl)carbazole.

Molecular Properties

Compound Nameethane;9-(6H-pyrido[2,1-a]isoindol-5-ium-9-yl)carbazole
PubChem CID156863063
Molecular FormulaC26H23N2+
Molecular Weight363.48 g/mol
Exact Mass363.19
IUPAC Nameethane;9-(6H-pyrido[2,1-a]isoindol-5-ium-9-yl)carbazole
SMILESCC.c1cc[n+]2c(c1)-c1cc(-n3c4ccccc4c4ccccc43)ccc1C2
InChIInChI=1S/C24H17N2.C2H6/c1-3-10-23-19(7-1)20-8-2-4-11-24(20)26(23)18-13-12-17-16-25-14-6-5-9-22(25)21(17)15-18;1-2/h1-15H,16H2;1-2H3/q+1;
InChIKeyMMKCMJBOAVTREF-UHFFFAOYSA-N
XLogP6.13
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole
CID 59464809
3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
CID 168811183
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1-[3,6-di(carbazol-9-yl)carbazol-9-yl]ethanone
CID 160891883
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
2,6-di(carbazol-9-yl)anthracene-9,10-dione
CID 23584855
9-[6,10-di(carbazol-9-yl)triphenylen-2-yl]carbazole
CID 122548627
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;ethane
CID 143126318
8-phenyl-6H-pyrido[2,1-a]isoindol-5-ium
CID 143096562
2,6-bis(3-carbazol-9-ylcarbazol-9-yl)anthracene-9,10-dione
CID 144761612
5,11-di(triphenylen-2-yl)indolo[3,2-b]carbazole
CID 166009559
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844

Frequently Asked Questions

What is the IUPAC name of ethane;9-(6H-pyrido[2,1-a]isoindol-5-ium-9-yl)carbazole?
The IUPAC name of ethane;9-(6H-pyrido[2,1-a]isoindol-5-ium-9-yl)carbazole (CID 156863063) is ethane;9-(6H-pyrido[2,1-a]isoindol-5-ium-9-yl)carbazole.
What is the SMILES notation for ethane;9-(6H-pyrido[2,1-a]isoindol-5-ium-9-yl)carbazole?
The canonical SMILES for ethane;9-(6H-pyrido[2,1-a]isoindol-5-ium-9-yl)carbazole is CC.c1cc[n+]2c(c1)-c1cc(-n3c4ccccc4c4ccccc43)ccc1C2.
What is the InChIKey of ethane;9-(6H-pyrido[2,1-a]isoindol-5-ium-9-yl)carbazole?
The InChIKey is MMKCMJBOAVTREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N2.C2H6/c1-3-10-23-19(7-1)20-8-2-4-11-24(20)26(23)18-13-12-17-16-25-14-6-5-9-22(25)21(17)15-18;1-2/h1-15H,16H2;1-2H3/q+1;.
What are the key properties of ethane;9-(6H-pyrido[2,1-a]isoindol-5-ium-9-yl)carbazole?
ethane;9-(6H-pyrido[2,1-a]isoindol-5-ium-9-yl)carbazole has a molecular weight of 363.48 g/mol, XLogP of 6.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-(6H-pyrido[2,1-a]isoindol-5-ium-9-yl)carbazole is sourced from PubChem (CID 156863063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).