carbanide;17,21-dimethyl-10,14-diaza-3-phosphapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,11,15(20),16,18-nonaene;ethane;yttrium

C25H32N2PY- — CID 158070379

IUPACcarbanide;17,21-dimethyl-10,14-diaza-3-phosphapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,11,15(20),16,18-nonaene;ethane;yttrium
SMILESCC.CC.Cc1ccc2c(C)c3n(c2c1)CC=Cn1c-3pc2ccccc21.[CH3-].[Y]
InChIInChI=1S/C20H17N2P.2C2H6.CH3.Y/c1-13-8-9-15-14(2)19-20-22(11-5-10-21(19)17(15)12-13)16-6-3-4-7-18(16)23-20;2*1-2;;/h3-9,11-12H,10H2,1-2H3;2*1-2H3;1H3;/q;;;-1;
InChIKeyRRZCRPFVVAXVMN-UHFFFAOYSA-N
MW480.43 g/mol
LogP8.44
Rot. Bonds

About carbanide;17,21-dimethyl-10,14-diaza-3-phosphapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,11,15(20),16,18-nonaene;ethane;yttrium

carbanide;17,21-dimethyl-10,14-diaza-3-phosphapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,11,15(20),16,18-nonaene;ethane;yttrium (PubChem CID 158070379) has the molecular formula C25H32N2PY- and a molecular weight of 480.43 g/mol. Its IUPAC name is carbanide;17,21-dimethyl-10,14-diaza-3-phosphapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,11,15(20),16,18-nonaene;ethane;yttrium.

Molecular Properties

Compound Namecarbanide;17,21-dimethyl-10,14-diaza-3-phosphapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,11,15(20),16,18-nonaene;ethane;yttrium
PubChem CID158070379
Molecular FormulaC25H32N2PY-
Molecular Weight480.43 g/mol
Exact Mass480.14
IUPAC Namecarbanide;17,21-dimethyl-10,14-diaza-3-phosphapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,11,15(20),16,18-nonaene;ethane;yttrium
SMILESCC.CC.Cc1ccc2c(C)c3n(c2c1)CC=Cn1c-3pc2ccccc21.[CH3-].[Y]
InChIInChI=1S/C20H17N2P.2C2H6.CH3.Y/c1-13-8-9-15-14(2)19-20-22(11-5-10-21(19)17(15)12-13)16-6-3-4-7-18(16)23-20;2*1-2;;/h3-9,11-12H,10H2,1-2H3;2*1-2H3;1H3;/q;;;-1;
InChIKeyRRZCRPFVVAXVMN-UHFFFAOYSA-N
XLogP8.44
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.43
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze carbanide;17,21-dimethyl-10,14-diaza-3-phosphapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,11,15(20),16,18-nonaene;ethane;yttrium with MolForge

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Related Compounds

3,7-dimethyl-10,14-diazapentacyclo[12.6.1.02,10.04,9.017,21]henicosa-1(20),2,4(9),5,7,15,17(21),18-octaene-15-carboxylic acid;ethane
CID 91074864
2-(1,3-dimethylindol-2-yl)-1,3-dimethylindole
CID 12742686
5,11-dimethyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15,17,19,21(25),22-dodecaene
CID 170037845
2,7-dimethyl-9-pyridin-2-ylcarbazole
CID 59557260
3-methyl-9-oxidocarbazole
CID 166517305
9,11-dimethylisoindolo[2,3-a]indol-6-one
CID 71504170
ethane;2-methyltriphenylene
CID 91569125
9-ethyl-2-methylcarbazole
CID 19788789
2-methyl-9-phenylcarbazole
CID 59552741
7-methylheptacyclo[12.6.6.64,11.05,10.015,20.021,26.027,32]dotriaconta-1(20),4,6,8,10,14,16,18,21,23,25,27,29,31-tetradecaene
CID 20825162
4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile
CID 146699426
2-methyl-9-phenylcarbazole;3-methyl-9-phenylcarbazole
CID 159508303

Frequently Asked Questions

What is the IUPAC name of carbanide;17,21-dimethyl-10,14-diaza-3-phosphapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,11,15(20),16,18-nonaene;ethane;yttrium?
The IUPAC name of carbanide;17,21-dimethyl-10,14-diaza-3-phosphapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,11,15(20),16,18-nonaene;ethane;yttrium (CID 158070379) is carbanide;17,21-dimethyl-10,14-diaza-3-phosphapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,11,15(20),16,18-nonaene;ethane;yttrium.
What is the SMILES notation for carbanide;17,21-dimethyl-10,14-diaza-3-phosphapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,11,15(20),16,18-nonaene;ethane;yttrium?
The canonical SMILES for carbanide;17,21-dimethyl-10,14-diaza-3-phosphapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,11,15(20),16,18-nonaene;ethane;yttrium is CC.CC.Cc1ccc2c(C)c3n(c2c1)CC=Cn1c-3pc2ccccc21.[CH3-].[Y].
What is the InChIKey of carbanide;17,21-dimethyl-10,14-diaza-3-phosphapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,11,15(20),16,18-nonaene;ethane;yttrium?
The InChIKey is RRZCRPFVVAXVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N2P.2C2H6.CH3.Y/c1-13-8-9-15-14(2)19-20-22(11-5-10-21(19)17(15)12-13)16-6-3-4-7-18(16)23-20;2*1-2;;/h3-9,11-12H,10H2,1-2H3;2*1-2H3;1H3;/q;;;-1;.
What are the key properties of carbanide;17,21-dimethyl-10,14-diaza-3-phosphapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,11,15(20),16,18-nonaene;ethane;yttrium?
carbanide;17,21-dimethyl-10,14-diaza-3-phosphapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,11,15(20),16,18-nonaene;ethane;yttrium has a molecular weight of 480.43 g/mol, XLogP of 8.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;17,21-dimethyl-10,14-diaza-3-phosphapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,11,15(20),16,18-nonaene;ethane;yttrium is sourced from PubChem (CID 158070379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).