carbanide;cyclopentyl-[[1-[6-[[2,6-di(propan-2-yl)phenyl]azanidyl-(2-propan-2-ylphenyl)methyl]-2-pyridinyl]naphthalen-2-yl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-[2-[(2-methylphenyl)azanidylmethyl]naphthalen-1-yl]-2-pyridinyl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;tris(hafnium(4+))

C118H139Hf3N9 — CID 162215113

IUPACcarbanide;cyclopentyl-[[1-[6-[[2,6-di(propan-2-yl)phenyl]azanidyl-(2-propan-2-ylphenyl)methyl]-2-pyridinyl]naphthalen-2-yl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-[2-[(2-methylphenyl)azanidylmethyl]naphthalen-1-yl]-2-pyridinyl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;tris(hafnium(4+))
SMILESCC(C)c1cccc(C(C)C)c1[N-]Cc1cccc(-c2cccc3c2C([N-]c2ccccc2)CC3)n1.CC(C)c1ccccc1C([N-]c1c(C(C)C)cccc1C(C)C)c1cccc(-c2c(C[N-]C3CCCC3)ccc3ccccc23)n1.Cc1ccccc1[N-]Cc1ccc2ccccc2c1-c1cccc(C[N-]c2c(C(C)C)cccc2C(C)C)n1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4].[Hf+4].[Hf+4]
InChIInChI=1S/C43H49N3.C36H37N3.C33H35N3.6CH3.3Hf/c1-28(2)34-18-11-12-20-38(34)43(46-42-35(29(3)4)21-13-22-36(42)30(5)6)40-24-14-23-39(45-40)41-32(27-44-33-16-8-9-17-33)26-25-31-15-7-10-19-37(31)41;1-24(2)30-16-11-17-31(25(3)4)36(30)38-23-29-14-10-19-34(39-29)35-28(21-20-27-13-7-8-15-32(27)35)22-37-33-18-9-6-12-26(33)5;1-22(2)27-15-10-16-28(23(3)4)33(27)34-21-26-14-9-18-30(36-26)29-17-8-11-24-19-20-31(32(24)29)35-25-12-6-5-7-13-25;;;;;;;;;/h7,10-15,18-26,28-30,33,43H,8-9,16-17,27H2,1-6H3;6-21,24-25H,22-23H2,1-5H3;5-18,22-23,31H,19-21H2,1-4H3;6*1H3;;;/q3*-2;6*-1;3*+4
InChIKeyCIAUKOMTGSOWNM-UHFFFAOYSA-N
MW2218.94 g/mol
LogP36.34
Rot. Bonds28

About carbanide;cyclopentyl-[[1-[6-[[2,6-di(propan-2-yl)phenyl]azanidyl-(2-propan-2-ylphenyl)methyl]-2-pyridinyl]naphthalen-2-yl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-[2-[(2-methylphenyl)azanidylmethyl]naphthalen-1-yl]-2-pyridinyl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;tris(hafnium(4+))

carbanide;cyclopentyl-[[1-[6-[[2,6-di(propan-2-yl)phenyl]azanidyl-(2-propan-2-ylphenyl)methyl]-2-pyridinyl]naphthalen-2-yl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-[2-[(2-methylphenyl)azanidylmethyl]naphthalen-1-yl]-2-pyridinyl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;tris(hafnium(4+)) (PubChem CID 162215113) has the molecular formula C118H139Hf3N9 and a molecular weight of 2218.94 g/mol. Its IUPAC name is carbanide;cyclopentyl-[[1-[6-[[2,6-di(propan-2-yl)phenyl]azanidyl-(2-propan-2-ylphenyl)methyl]-2-pyridinyl]naphthalen-2-yl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-[2-[(2-methylphenyl)azanidylmethyl]naphthalen-1-yl]-2-pyridinyl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;tris(hafnium(4+)).

Molecular Properties

Compound Namecarbanide;cyclopentyl-[[1-[6-[[2,6-di(propan-2-yl)phenyl]azanidyl-(2-propan-2-ylphenyl)methyl]-2-pyridinyl]naphthalen-2-yl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-[2-[(2-methylphenyl)azanidylmethyl]naphthalen-1-yl]-2-pyridinyl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;tris(hafnium(4+))
PubChem CID162215113
Molecular FormulaC118H139Hf3N9
Molecular Weight2218.94 g/mol
Exact Mass2221.95
IUPAC Namecarbanide;cyclopentyl-[[1-[6-[[2,6-di(propan-2-yl)phenyl]azanidyl-(2-propan-2-ylphenyl)methyl]-2-pyridinyl]naphthalen-2-yl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-[2-[(2-methylphenyl)azanidylmethyl]naphthalen-1-yl]-2-pyridinyl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;tris(hafnium(4+))
SMILESCC(C)c1cccc(C(C)C)c1[N-]Cc1cccc(-c2cccc3c2C([N-]c2ccccc2)CC3)n1.CC(C)c1ccccc1C([N-]c1c(C(C)C)cccc1C(C)C)c1cccc(-c2c(C[N-]C3CCCC3)ccc3ccccc23)n1.Cc1ccccc1[N-]Cc1ccc2ccccc2c1-c1cccc(C[N-]c2c(C(C)C)cccc2C(C)C)n1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4].[Hf+4].[Hf+4]
InChIInChI=1S/C43H49N3.C36H37N3.C33H35N3.6CH3.3Hf/c1-28(2)34-18-11-12-20-38(34)43(46-42-35(29(3)4)21-13-22-36(42)30(5)6)40-24-14-23-39(45-40)41-32(27-44-33-16-8-9-17-33)26-25-31-15-7-10-19-37(31)41;1-24(2)30-16-11-17-31(25(3)4)36(30)38-23-29-14-10-19-34(39-29)35-28(21-20-27-13-7-8-15-32(27)35)22-37-33-18-9-6-12-26(33)5;1-22(2)27-15-10-16-28(23(3)4)33(27)34-21-26-14-9-18-30(36-26)29-17-8-11-24-19-20-31(32(24)29)35-25-12-6-5-7-13-25;;;;;;;;;/h7,10-15,18-26,28-30,33,43H,8-9,16-17,27H2,1-6H3;6-21,24-25H,22-23H2,1-5H3;5-18,22-23,31H,19-21H2,1-4H3;6*1H3;;;/q3*-2;6*-1;3*+4
InChIKeyCIAUKOMTGSOWNM-UHFFFAOYSA-N
XLogP36.34
TPSA123.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002218.94
LogP ≤ 536.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze carbanide;cyclopentyl-[[1-[6-[[2,6-di(propan-2-yl)phenyl]azanidyl-(2-propan-2-ylphenyl)methyl]-2-pyridinyl]naphthalen-2-yl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-[2-[(2-methylphenyl)azanidylmethyl]naphthalen-1-yl]-2-pyridinyl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;tris(hafnium(4+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;cyclopentyl-[[1-[6-[[2,6-di(propan-2-yl)phenyl]azanidyl-(2-propan-2-ylphenyl)methyl]-2-pyridinyl]naphthalen-2-yl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-[2-[(2-methylphenyl)azanidylmethyl]naphthalen-1-yl]-2-pyridinyl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;tris(hafnium(4+))?
The IUPAC name of carbanide;cyclopentyl-[[1-[6-[[2,6-di(propan-2-yl)phenyl]azanidyl-(2-propan-2-ylphenyl)methyl]-2-pyridinyl]naphthalen-2-yl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-[2-[(2-methylphenyl)azanidylmethyl]naphthalen-1-yl]-2-pyridinyl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;tris(hafnium(4+)) (CID 162215113) is carbanide;cyclopentyl-[[1-[6-[[2,6-di(propan-2-yl)phenyl]azanidyl-(2-propan-2-ylphenyl)methyl]-2-pyridinyl]naphthalen-2-yl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-[2-[(2-methylphenyl)azanidylmethyl]naphthalen-1-yl]-2-pyridinyl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;tris(hafnium(4+)).
What is the SMILES notation for carbanide;cyclopentyl-[[1-[6-[[2,6-di(propan-2-yl)phenyl]azanidyl-(2-propan-2-ylphenyl)methyl]-2-pyridinyl]naphthalen-2-yl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-[2-[(2-methylphenyl)azanidylmethyl]naphthalen-1-yl]-2-pyridinyl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;tris(hafnium(4+))?
The canonical SMILES for carbanide;cyclopentyl-[[1-[6-[[2,6-di(propan-2-yl)phenyl]azanidyl-(2-propan-2-ylphenyl)methyl]-2-pyridinyl]naphthalen-2-yl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-[2-[(2-methylphenyl)azanidylmethyl]naphthalen-1-yl]-2-pyridinyl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;tris(hafnium(4+)) is CC(C)c1cccc(C(C)C)c1[N-]Cc1cccc(-c2cccc3c2C([N-]c2ccccc2)CC3)n1.CC(C)c1ccccc1C([N-]c1c(C(C)C)cccc1C(C)C)c1cccc(-c2c(C[N-]C3CCCC3)ccc3ccccc23)n1.Cc1ccccc1[N-]Cc1ccc2ccccc2c1-c1cccc(C[N-]c2c(C(C)C)cccc2C(C)C)n1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4].[Hf+4].[Hf+4].
What is the InChIKey of carbanide;cyclopentyl-[[1-[6-[[2,6-di(propan-2-yl)phenyl]azanidyl-(2-propan-2-ylphenyl)methyl]-2-pyridinyl]naphthalen-2-yl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-[2-[(2-methylphenyl)azanidylmethyl]naphthalen-1-yl]-2-pyridinyl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;tris(hafnium(4+))?
The InChIKey is CIAUKOMTGSOWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H49N3.C36H37N3.C33H35N3.6CH3.3Hf/c1-28(2)34-18-11-12-20-38(34)43(46-42-35(29(3)4)21-13-22-36(42)30(5)6)40-24-14-23-39(45-40)41-32(27-44-33-16-8-9-17-33)26-25-31-15-7-10-19-37(31)41;1-24(2)30-16-11-17-31(25(3)4)36(30)38-23-29-14-10-19-34(39-29)35-28(21-20-27-13-7-8-15-32(27)35)22-37-33-18-9-6-12-26(33)5;1-22(2)27-15-10-16-28(23(3)4)33(27)34-21-26-14-9-18-30(36-26)29-17-8-11-24-19-20-31(32(24)29)35-25-12-6-5-7-13-25;;;;;;;;;/h7,10-15,18-26,28-30,33,43H,8-9,16-17,27H2,1-6H3;6-21,24-25H,22-23H2,1-5H3;5-18,22-23,31H,19-21H2,1-4H3;6*1H3;;;/q3*-2;6*-1;3*+4.
What are the key properties of carbanide;cyclopentyl-[[1-[6-[[2,6-di(propan-2-yl)phenyl]azanidyl-(2-propan-2-ylphenyl)methyl]-2-pyridinyl]naphthalen-2-yl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-[2-[(2-methylphenyl)azanidylmethyl]naphthalen-1-yl]-2-pyridinyl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;tris(hafnium(4+))?
carbanide;cyclopentyl-[[1-[6-[[2,6-di(propan-2-yl)phenyl]azanidyl-(2-propan-2-ylphenyl)methyl]-2-pyridinyl]naphthalen-2-yl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-[2-[(2-methylphenyl)azanidylmethyl]naphthalen-1-yl]-2-pyridinyl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;tris(hafnium(4+)) has a molecular weight of 2218.94 g/mol, XLogP of 36.34, 28 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;cyclopentyl-[[1-[6-[[2,6-di(propan-2-yl)phenyl]azanidyl-(2-propan-2-ylphenyl)methyl]-2-pyridinyl]naphthalen-2-yl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-[2-[(2-methylphenyl)azanidylmethyl]naphthalen-1-yl]-2-pyridinyl]methyl]azanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;tris(hafnium(4+)) is sourced from PubChem (CID 162215113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).