ethane;9-ethylcarbazole;9-methylcarbazole;phenylbenzene;propane;yttrium

C46H52N2Y-2 — CID 159471446

IUPACethane;9-ethylcarbazole;9-methylcarbazole;phenylbenzene;propane;yttrium
SMILESCC.CC.CCC.CCn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.[Y].[c-]1ccccc1-c1[c-]cccc1
InChIInChI=1S/C14H13N.C13H11N.C12H8.C3H8.2C2H6.Y/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2;2*1-2;/h3-10H,2H2,1H3;2-9H,1H3;1-7,9H;3H2,1-2H3;2*1-2H3;/q;;-2;;;;
InChIKeyDBCMEWCPNYLCNX-UHFFFAOYSA-N
MW721.84 g/mol
LogP13.57
Rot. Bonds2

About ethane;9-ethylcarbazole;9-methylcarbazole;phenylbenzene;propane;yttrium

ethane;9-ethylcarbazole;9-methylcarbazole;phenylbenzene;propane;yttrium (PubChem CID 159471446) has the molecular formula C46H52N2Y-2 and a molecular weight of 721.84 g/mol. Its IUPAC name is ethane;9-ethylcarbazole;9-methylcarbazole;phenylbenzene;propane;yttrium.

Molecular Properties

Compound Nameethane;9-ethylcarbazole;9-methylcarbazole;phenylbenzene;propane;yttrium
PubChem CID159471446
Molecular FormulaC46H52N2Y-2
Molecular Weight721.84 g/mol
Exact Mass721.32
IUPAC Nameethane;9-ethylcarbazole;9-methylcarbazole;phenylbenzene;propane;yttrium
SMILESCC.CC.CCC.CCn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.[Y].[c-]1ccccc1-c1[c-]cccc1
InChIInChI=1S/C14H13N.C13H11N.C12H8.C3H8.2C2H6.Y/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2;2*1-2;/h3-10H,2H2,1H3;2-9H,1H3;1-7,9H;3H2,1-2H3;2*1-2H3;/q;;-2;;;;
InChIKeyDBCMEWCPNYLCNX-UHFFFAOYSA-N
XLogP13.57
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.84
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;9-ethylcarbazole;9-methylcarbazole;propane
CID 158486364
N,N-dimethylethanamine;ethane;9-ethylcarbazole;tris(N-ethyl-N-methylethanamine);9-methylcarbazole
CID 157122077
ethane;phenylbenzene;yttrium
CID 161119758
ethane;bis(9-methylcarbazole)
CID 159710949
9-methyl-4-phenyl-3H-carbazol-3-ide;yttrium
CID 153420914
ethane;9-methylcarbazole;triphenylene
CID 142356751
3-carbazol-9-yl-9-methylcarbazole;ethane;tris(9H-fluorene);methane;tetrakis(9-methylcarbazole);phenylbenzene;yttrium
CID 160627616
12-ethyl-11-methylindolo[2,3-a]carbazole
CID 90350910
ethane;9-ethyl-3-phenyl-2,4-dihydrocarbazole-2,4-diide;tris(yttrium)
CID 159763189
ethane;11-ethyl-12H-indeno[2,1-a]carbazole;9-ethyl-1-phenyl-2H-carbazol-2-ide;bis(9H-fluorene);yttrium
CID 158379429
9H-carbazole;9-ethylcarbazole
CID 159391034
(2-chloro-1-ethylindol-3-yl)methanol
CID 82268356

Frequently Asked Questions

What is the IUPAC name of ethane;9-ethylcarbazole;9-methylcarbazole;phenylbenzene;propane;yttrium?
The IUPAC name of ethane;9-ethylcarbazole;9-methylcarbazole;phenylbenzene;propane;yttrium (CID 159471446) is ethane;9-ethylcarbazole;9-methylcarbazole;phenylbenzene;propane;yttrium.
What is the SMILES notation for ethane;9-ethylcarbazole;9-methylcarbazole;phenylbenzene;propane;yttrium?
The canonical SMILES for ethane;9-ethylcarbazole;9-methylcarbazole;phenylbenzene;propane;yttrium is CC.CC.CCC.CCn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.[Y].[c-]1ccccc1-c1[c-]cccc1.
What is the InChIKey of ethane;9-ethylcarbazole;9-methylcarbazole;phenylbenzene;propane;yttrium?
The InChIKey is DBCMEWCPNYLCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N.C13H11N.C12H8.C3H8.2C2H6.Y/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-2;2*1-2;/h3-10H,2H2,1H3;2-9H,1H3;1-7,9H;3H2,1-2H3;2*1-2H3;/q;;-2;;;;.
What are the key properties of ethane;9-ethylcarbazole;9-methylcarbazole;phenylbenzene;propane;yttrium?
ethane;9-ethylcarbazole;9-methylcarbazole;phenylbenzene;propane;yttrium has a molecular weight of 721.84 g/mol, XLogP of 13.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-ethylcarbazole;9-methylcarbazole;phenylbenzene;propane;yttrium is sourced from PubChem (CID 159471446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).