[2-[[7-[[9-(azanidylmethyl)-1,9-dihydrofluoren-1-id-2-yl]methyl]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diid-2-yl]methyl]-1,9-dihydrofluoren-1-id-9-yl]methylazanide;ethane;bis(palladium)

C64H85N5Pd2-6 — CID 159656097

IUPAC[2-[[7-[[9-(azanidylmethyl)-1,9-dihydrofluoren-1-id-2-yl]methyl]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diid-2-yl]methyl]-1,9-dihydrofluoren-1-id-9-yl]methylazanide;ethane;bis(palladium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.[NH-]CC1c2[c-]c(Cc3[c-]c4c(cc3)c3ccc(Cc5[c-]c6c(cc5)-c5ccccc5C6C[NH-])[c-]c3n4-c3ncccn3)ccc2-c2ccccc21.[Pd].[Pd]
InChIInChI=1S/C46H31N5.9C2H6.2Pd/c47-26-42-34-8-3-1-6-32(34)36-14-10-28(22-40(36)42)20-30-12-16-38-39-17-13-31(25-45(39)51(44(38)24-30)46-49-18-5-19-50-46)21-29-11-15-37-33-7-2-4-9-35(33)43(27-48)41(37)23-29;9*1-2;;/h1-19,42-43,47-48H,20-21,26-27H2;9*1-2H3;;/q-6;;;;;;;;;;;
InChIKeyJFIVHWWOXVEAJZ-UHFFFAOYSA-N
MW1137.26 g/mol
LogP19.52
Rot. Bonds7

About [2-[[7-[[9-(azanidylmethyl)-1,9-dihydrofluoren-1-id-2-yl]methyl]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diid-2-yl]methyl]-1,9-dihydrofluoren-1-id-9-yl]methylazanide;ethane;bis(palladium)

[2-[[7-[[9-(azanidylmethyl)-1,9-dihydrofluoren-1-id-2-yl]methyl]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diid-2-yl]methyl]-1,9-dihydrofluoren-1-id-9-yl]methylazanide;ethane;bis(palladium) (PubChem CID 159656097) has the molecular formula C64H85N5Pd2-6 and a molecular weight of 1137.26 g/mol. Its IUPAC name is [2-[[7-[[9-(azanidylmethyl)-1,9-dihydrofluoren-1-id-2-yl]methyl]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diid-2-yl]methyl]-1,9-dihydrofluoren-1-id-9-yl]methylazanide;ethane;bis(palladium).

Molecular Properties

Compound Name[2-[[7-[[9-(azanidylmethyl)-1,9-dihydrofluoren-1-id-2-yl]methyl]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diid-2-yl]methyl]-1,9-dihydrofluoren-1-id-9-yl]methylazanide;ethane;bis(palladium)
PubChem CID159656097
Molecular FormulaC64H85N5Pd2-6
Molecular Weight1137.26 g/mol
Exact Mass1135.49
IUPAC Name[2-[[7-[[9-(azanidylmethyl)-1,9-dihydrofluoren-1-id-2-yl]methyl]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diid-2-yl]methyl]-1,9-dihydrofluoren-1-id-9-yl]methylazanide;ethane;bis(palladium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.[NH-]CC1c2[c-]c(Cc3[c-]c4c(cc3)c3ccc(Cc5[c-]c6c(cc5)-c5ccccc5C6C[NH-])[c-]c3n4-c3ncccn3)ccc2-c2ccccc21.[Pd].[Pd]
InChIInChI=1S/C46H31N5.9C2H6.2Pd/c47-26-42-34-8-3-1-6-32(34)36-14-10-28(22-40(36)42)20-30-12-16-38-39-17-13-31(25-45(39)51(44(38)24-30)46-49-18-5-19-50-46)21-29-11-15-37-33-7-2-4-9-35(33)43(27-48)41(37)23-29;9*1-2;;/h1-19,42-43,47-48H,20-21,26-27H2;9*1-2H3;;/q-6;;;;;;;;;;;
InChIKeyJFIVHWWOXVEAJZ-UHFFFAOYSA-N
XLogP19.52
TPSA78.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001137.26
LogP ≤ 519.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-[[7-[[9-(azanidylmethyl)-1,9-dihydrofluoren-1-id-2-yl]methyl]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diid-2-yl]methyl]-1,9-dihydrofluoren-1-id-9-yl]methylazanide;ethane;bis(palladium) with MolForge

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Related Compounds

N-methyl-1-[2-[methyl-[7-[methyl-[9-(methylaminomethyl)-9H-fluoren-2-yl]boranyl]-9-pyrimidin-2-ylcarbazol-2-yl]boranyl]-9H-fluoren-9-yl]methanamine
CID 157461655
N-methyl-1-[5-[7-[7-(methylaminomethyl)-7H-indeno[2,1-b]carbazol-5-yl]-9-pyrimidin-2-ylcarbazol-2-yl]-7H-indeno[2,3-b]carbazol-7-yl]methanamine
CID 157074265
N-methyl-1-[5-[7-[7-(methylaminomethyl)-7H-fluoreno[2,3-b][1]benzoborol-5-yl]-9-pyrimidin-2-ylcarbazol-2-yl]-7H-fluoreno[2,3-b][1]benzoborol-7-yl]methanamine
CID 157074263
[38-(aminomethyl)-30-pyrimidin-2-yl-30-aza-26,34-diborapentadecacyclo[32.17.1.18,12.02,33.04,31.05,29.07,27.013,25.015,23.016,21.035,47.037,45.039,44.048,52.026,53]tripentaconta-1(52),2,4(31),5(29),6,8(53),9,11,13,15(23),16,18,20,24,27,32,35,37(45),39,41,43,46,48,50-tetracosaen-22-yl]methanamine
CID 159311999
9-(2,2-dimethylpropyl)-9H-fluorene;ethane
CID 145284479
ethane;1-fluoro-4-methylbenzene;platinum(2+);9-pyridin-2-yl-2-[(3-quinolin-2-ylbenzene-2-id-1-yl)methyl]-1H-carbazol-1-ide
CID 158051724
1,9-dihydrofluoren-1-id-9-yl(trimethyl)silane;titanium(4+);trichloride
CID 18766762
lithium 9-ethyl-9H-fluorene
CID 23225742
6-[2-[[3-[3-[2-(3-tert-butylphenyl)-6-(4-tert-butylphenyl)-4-methylphenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]-1,3-dihydrofuro[3,4-c]pyridine;platinum
CID 171415992
2-methyl-6-[2-[[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]furo[3,2-c]pyridine;platinum
CID 171416036
CID 173463796
CID 173463796
12,12-dimethyl-11-pyrimidin-2-ylindeno[2,1-a]carbazole
CID 118502203

Frequently Asked Questions

What is the IUPAC name of [2-[[7-[[9-(azanidylmethyl)-1,9-dihydrofluoren-1-id-2-yl]methyl]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diid-2-yl]methyl]-1,9-dihydrofluoren-1-id-9-yl]methylazanide;ethane;bis(palladium)?
The IUPAC name of [2-[[7-[[9-(azanidylmethyl)-1,9-dihydrofluoren-1-id-2-yl]methyl]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diid-2-yl]methyl]-1,9-dihydrofluoren-1-id-9-yl]methylazanide;ethane;bis(palladium) (CID 159656097) is [2-[[7-[[9-(azanidylmethyl)-1,9-dihydrofluoren-1-id-2-yl]methyl]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diid-2-yl]methyl]-1,9-dihydrofluoren-1-id-9-yl]methylazanide;ethane;bis(palladium).
What is the SMILES notation for [2-[[7-[[9-(azanidylmethyl)-1,9-dihydrofluoren-1-id-2-yl]methyl]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diid-2-yl]methyl]-1,9-dihydrofluoren-1-id-9-yl]methylazanide;ethane;bis(palladium)?
The canonical SMILES for [2-[[7-[[9-(azanidylmethyl)-1,9-dihydrofluoren-1-id-2-yl]methyl]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diid-2-yl]methyl]-1,9-dihydrofluoren-1-id-9-yl]methylazanide;ethane;bis(palladium) is CC.CC.CC.CC.CC.CC.CC.CC.CC.[NH-]CC1c2[c-]c(Cc3[c-]c4c(cc3)c3ccc(Cc5[c-]c6c(cc5)-c5ccccc5C6C[NH-])[c-]c3n4-c3ncccn3)ccc2-c2ccccc21.[Pd].[Pd].
What is the InChIKey of [2-[[7-[[9-(azanidylmethyl)-1,9-dihydrofluoren-1-id-2-yl]methyl]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diid-2-yl]methyl]-1,9-dihydrofluoren-1-id-9-yl]methylazanide;ethane;bis(palladium)?
The InChIKey is JFIVHWWOXVEAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N5.9C2H6.2Pd/c47-26-42-34-8-3-1-6-32(34)36-14-10-28(22-40(36)42)20-30-12-16-38-39-17-13-31(25-45(39)51(44(38)24-30)46-49-18-5-19-50-46)21-29-11-15-37-33-7-2-4-9-35(33)43(27-48)41(37)23-29;9*1-2;;/h1-19,42-43,47-48H,20-21,26-27H2;9*1-2H3;;/q-6;;;;;;;;;;;.
What are the key properties of [2-[[7-[[9-(azanidylmethyl)-1,9-dihydrofluoren-1-id-2-yl]methyl]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diid-2-yl]methyl]-1,9-dihydrofluoren-1-id-9-yl]methylazanide;ethane;bis(palladium)?
[2-[[7-[[9-(azanidylmethyl)-1,9-dihydrofluoren-1-id-2-yl]methyl]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diid-2-yl]methyl]-1,9-dihydrofluoren-1-id-9-yl]methylazanide;ethane;bis(palladium) has a molecular weight of 1137.26 g/mol, XLogP of 19.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[7-[[9-(azanidylmethyl)-1,9-dihydrofluoren-1-id-2-yl]methyl]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diid-2-yl]methyl]-1,9-dihydrofluoren-1-id-9-yl]methylazanide;ethane;bis(palladium) is sourced from PubChem (CID 159656097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).