3-carbazol-9-yl-9-methylcarbazole;ethane;tris(9H-fluorene);methane;tetrakis(9-methylcarbazole);phenylbenzene;yttrium

C146H156N6Y-2 — CID 160627616

IUPAC3-carbazol-9-yl-9-methylcarbazole;ethane;tris(9H-fluorene);methane;tetrakis(9-methylcarbazole);phenylbenzene;yttrium
SMILESC.C.CC.CC.CC.CC.CC.CC.CC.CC.Cn1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.[Y].[c-]1ccccc1-c1[c-]cccc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C25H18N2.4C13H11N.3C13H10.C12H8.8C2H6.2CH4.Y/c1-26-22-11-5-2-10-20(22)21-16-17(14-15-23(21)26)27-24-12-6-3-8-18(24)19-9-4-7-13-25(19)27;4*1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;3*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;8*1-2;;;/h2-16H,1H3;4*2-9H,1H3;3*1-8H,9H2;1-7,9H;8*1-2H3;2*1H4;/q;;;;;;;;-2;;;;;;;;;;;
InChIKeyCGNZMFXGFFYPLD-UHFFFAOYSA-N
MW2083.80 g/mol
LogP41.96
Rot. Bonds2

About 3-carbazol-9-yl-9-methylcarbazole;ethane;tris(9H-fluorene);methane;tetrakis(9-methylcarbazole);phenylbenzene;yttrium

3-carbazol-9-yl-9-methylcarbazole;ethane;tris(9H-fluorene);methane;tetrakis(9-methylcarbazole);phenylbenzene;yttrium (PubChem CID 160627616) has the molecular formula C146H156N6Y-2 and a molecular weight of 2083.80 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-methylcarbazole;ethane;tris(9H-fluorene);methane;tetrakis(9-methylcarbazole);phenylbenzene;yttrium.

Molecular Properties

Compound Name3-carbazol-9-yl-9-methylcarbazole;ethane;tris(9H-fluorene);methane;tetrakis(9-methylcarbazole);phenylbenzene;yttrium
PubChem CID160627616
Molecular FormulaC146H156N6Y-2
Molecular Weight2083.80 g/mol
Exact Mass2082.15
IUPAC Name3-carbazol-9-yl-9-methylcarbazole;ethane;tris(9H-fluorene);methane;tetrakis(9-methylcarbazole);phenylbenzene;yttrium
SMILESC.C.CC.CC.CC.CC.CC.CC.CC.CC.Cn1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.[Y].[c-]1ccccc1-c1[c-]cccc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C25H18N2.4C13H11N.3C13H10.C12H8.8C2H6.2CH4.Y/c1-26-22-11-5-2-10-20(22)21-16-17(14-15-23(21)26)27-24-12-6-3-8-18(24)19-9-4-7-13-25(19)27;4*1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;3*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;8*1-2;;;/h2-16H,1H3;4*2-9H,1H3;3*1-8H,9H2;1-7,9H;8*1-2H3;2*1H4;/q;;;;;;;;-2;;;;;;;;;;;
InChIKeyCGNZMFXGFFYPLD-UHFFFAOYSA-N
XLogP41.96
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002083.80
LogP ≤ 541.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-carbazol-9-yl-2-(9H-fluoren-3-yl)-9-methylcarbazole
CID 121465243
5-methyl-11H-indeno[1,2-b]carbazole
CID 71127484
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole
CID 59464809
ethane;9-ethylcarbazole;9-methylcarbazole;phenylbenzene;propane;yttrium
CID 159471446
5,10-di(carbazol-9-yl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaene
CID 155005571
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241600
9-(9H-fluoren-3-yl)-14-(4-methylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163468224
3-carbazol-9-yl-9-(6-carbazol-9-yltetraphenylen-2-yl)carbazole
CID 168811183
9-methyl-3-[3-[9-(9-methylcarbazol-3-yl)carbazol-3-yl]oxycarbazol-9-yl]carbazole
CID 71232754
9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
CID 71232675
9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
CID 118137351
benzene;(Z)-1-[3-(6-carbazol-9-yl-9-methylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine
CID 145167637

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-methylcarbazole;ethane;tris(9H-fluorene);methane;tetrakis(9-methylcarbazole);phenylbenzene;yttrium?
The IUPAC name of 3-carbazol-9-yl-9-methylcarbazole;ethane;tris(9H-fluorene);methane;tetrakis(9-methylcarbazole);phenylbenzene;yttrium (CID 160627616) is 3-carbazol-9-yl-9-methylcarbazole;ethane;tris(9H-fluorene);methane;tetrakis(9-methylcarbazole);phenylbenzene;yttrium.
What is the SMILES notation for 3-carbazol-9-yl-9-methylcarbazole;ethane;tris(9H-fluorene);methane;tetrakis(9-methylcarbazole);phenylbenzene;yttrium?
The canonical SMILES for 3-carbazol-9-yl-9-methylcarbazole;ethane;tris(9H-fluorene);methane;tetrakis(9-methylcarbazole);phenylbenzene;yttrium is C.C.CC.CC.CC.CC.CC.CC.CC.CC.Cn1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.[Y].[c-]1ccccc1-c1[c-]cccc1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 3-carbazol-9-yl-9-methylcarbazole;ethane;tris(9H-fluorene);methane;tetrakis(9-methylcarbazole);phenylbenzene;yttrium?
The InChIKey is CGNZMFXGFFYPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2.4C13H11N.3C13H10.C12H8.8C2H6.2CH4.Y/c1-26-22-11-5-2-10-20(22)21-16-17(14-15-23(21)26)27-24-12-6-3-8-18(24)19-9-4-7-13-25(19)27;4*1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;3*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-11(8-4-1)12-9-5-2-6-10-12;8*1-2;;;/h2-16H,1H3;4*2-9H,1H3;3*1-8H,9H2;1-7,9H;8*1-2H3;2*1H4;/q;;;;;;;;-2;;;;;;;;;;;.
What are the key properties of 3-carbazol-9-yl-9-methylcarbazole;ethane;tris(9H-fluorene);methane;tetrakis(9-methylcarbazole);phenylbenzene;yttrium?
3-carbazol-9-yl-9-methylcarbazole;ethane;tris(9H-fluorene);methane;tetrakis(9-methylcarbazole);phenylbenzene;yttrium has a molecular weight of 2083.80 g/mol, XLogP of 41.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-methylcarbazole;ethane;tris(9H-fluorene);methane;tetrakis(9-methylcarbazole);phenylbenzene;yttrium is sourced from PubChem (CID 160627616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).