ethane;N,N,N'-trimethyl-N'-[[2-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-3-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-4-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[4-(9-methylcarbazol-2-yl)benzene-6-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[4-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-5-id-1-yl]methyl]methanediamine;pentakis(yttrium)

C190H265N15Y5-10 — CID 161382072

IUPACethane;N,N,N'-trimethyl-N'-[[2-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-3-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-4-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[4-(9-methylcarbazol-2-yl)benzene-6-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[4-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-5-id-1-yl]methyl]methanediamine;pentakis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN(C)CN(C)Cc1[c-]c(-c2[c-]c(-c3ccc4c5ccccc5n(C)c4c3)ccc2)ccc1.CN(C)CN(C)Cc1[c-]c(-c2[c-]cc(-c3ccc4c5ccccc5n(C)c4c3)cc2)ccc1.CN(C)CN(C)Cc1c[c-]c(-c2[c-]c(-c3ccc4c5ccccc5n(C)c4c3)ccc2)cc1.CN(C)CN(C)Cc1cc[c-]c(-c2[c-]c(-c3ccc4c5ccccc5n(C)c4c3)ccc2)c1.CN(C)CN(C)Cc1ccc[c-]c1-c1[c-]c(-c2ccc3c4ccccc4n(C)c3c2)ccc1.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/5C30H29N3.20C2H6.5Y/c2*1-31(2)21-32(3)20-22-9-7-10-23(17-22)24-11-8-12-25(18-24)26-15-16-28-27-13-5-6-14-29(27)33(4)30(28)19-26;1-31(2)21-32(3)20-25-10-5-6-13-26(25)24-12-9-11-22(18-24)23-16-17-28-27-14-7-8-15-29(27)33(4)30(28)19-23;1-31(2)21-32(3)20-22-12-14-23(15-13-22)24-8-7-9-25(18-24)26-16-17-28-27-10-5-6-11-29(27)33(4)30(28)19-26;1-31(2)21-32(3)20-22-8-7-9-25(18-22)23-12-14-24(15-13-23)26-16-17-28-27-10-5-6-11-29(27)33(4)30(28)19-26;20*1-2;;;;;/h5-9,11-17,19H,20-21H2,1-4H3;5-16,19H,20-21H2,1-4H3;5-12,14-17,19H,20-21H2,1-4H3;5-14,16-17,19H,20-21H2,1-4H3;5-12,14-17,19H,20-21H2,1-4H3;20*1-2H3;;;;;/q5*-2;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyOZKOZSXGRLDZIG-UHFFFAOYSA-N
MW3203.84 g/mol
LogP51.60
Rot. Bonds30

About ethane;N,N,N'-trimethyl-N'-[[2-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-3-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-4-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[4-(9-methylcarbazol-2-yl)benzene-6-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[4-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-5-id-1-yl]methyl]methanediamine;pentakis(yttrium)

ethane;N,N,N'-trimethyl-N'-[[2-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-3-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-4-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[4-(9-methylcarbazol-2-yl)benzene-6-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[4-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-5-id-1-yl]methyl]methanediamine;pentakis(yttrium) (PubChem CID 161382072) has the molecular formula C190H265N15Y5-10 and a molecular weight of 3203.84 g/mol. Its IUPAC name is ethane;N,N,N'-trimethyl-N'-[[2-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-3-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-4-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[4-(9-methylcarbazol-2-yl)benzene-6-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[4-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-5-id-1-yl]methyl]methanediamine;pentakis(yttrium).

Molecular Properties

Compound Nameethane;N,N,N'-trimethyl-N'-[[2-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-3-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-4-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[4-(9-methylcarbazol-2-yl)benzene-6-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[4-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-5-id-1-yl]methyl]methanediamine;pentakis(yttrium)
PubChem CID161382072
Molecular FormulaC190H265N15Y5-10
Molecular Weight3203.84 g/mol
Exact Mass3201.65
IUPAC Nameethane;N,N,N'-trimethyl-N'-[[2-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-3-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-4-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[4-(9-methylcarbazol-2-yl)benzene-6-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[4-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-5-id-1-yl]methyl]methanediamine;pentakis(yttrium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN(C)CN(C)Cc1[c-]c(-c2[c-]c(-c3ccc4c5ccccc5n(C)c4c3)ccc2)ccc1.CN(C)CN(C)Cc1[c-]c(-c2[c-]cc(-c3ccc4c5ccccc5n(C)c4c3)cc2)ccc1.CN(C)CN(C)Cc1c[c-]c(-c2[c-]c(-c3ccc4c5ccccc5n(C)c4c3)ccc2)cc1.CN(C)CN(C)Cc1cc[c-]c(-c2[c-]c(-c3ccc4c5ccccc5n(C)c4c3)ccc2)c1.CN(C)CN(C)Cc1ccc[c-]c1-c1[c-]c(-c2ccc3c4ccccc4n(C)c3c2)ccc1.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/5C30H29N3.20C2H6.5Y/c2*1-31(2)21-32(3)20-22-9-7-10-23(17-22)24-11-8-12-25(18-24)26-15-16-28-27-13-5-6-14-29(27)33(4)30(28)19-26;1-31(2)21-32(3)20-25-10-5-6-13-26(25)24-12-9-11-22(18-24)23-16-17-28-27-14-7-8-15-29(27)33(4)30(28)19-23;1-31(2)21-32(3)20-22-12-14-23(15-13-22)24-8-7-9-25(18-24)26-16-17-28-27-10-5-6-11-29(27)33(4)30(28)19-26;1-31(2)21-32(3)20-22-8-7-9-25(18-22)23-12-14-24(15-13-23)26-16-17-28-27-10-5-6-11-29(27)33(4)30(28)19-26;20*1-2;;;;;/h5-9,11-17,19H,20-21H2,1-4H3;5-16,19H,20-21H2,1-4H3;5-12,14-17,19H,20-21H2,1-4H3;5-14,16-17,19H,20-21H2,1-4H3;5-12,14-17,19H,20-21H2,1-4H3;20*1-2H3;;;;;/q5*-2;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyOZKOZSXGRLDZIG-UHFFFAOYSA-N
XLogP51.60
TPSA57.05 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds30
Heavy Atoms210
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003203.84
LogP ≤ 551.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethane;N,N,N'-trimethyl-N'-[[2-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-3-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-4-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[4-(9-methylcarbazol-2-yl)benzene-6-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[4-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-5-id-1-yl]methyl]methanediamine;pentakis(yttrium) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of ethane;N,N,N'-trimethyl-N'-[[2-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-3-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-4-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[4-(9-methylcarbazol-2-yl)benzene-6-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[4-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-5-id-1-yl]methyl]methanediamine;pentakis(yttrium)?
The IUPAC name of ethane;N,N,N'-trimethyl-N'-[[2-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-3-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-4-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[4-(9-methylcarbazol-2-yl)benzene-6-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[4-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-5-id-1-yl]methyl]methanediamine;pentakis(yttrium) (CID 161382072) is ethane;N,N,N'-trimethyl-N'-[[2-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-3-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-4-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[4-(9-methylcarbazol-2-yl)benzene-6-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[4-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-5-id-1-yl]methyl]methanediamine;pentakis(yttrium).
What is the SMILES notation for ethane;N,N,N'-trimethyl-N'-[[2-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-3-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-4-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[4-(9-methylcarbazol-2-yl)benzene-6-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[4-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-5-id-1-yl]methyl]methanediamine;pentakis(yttrium)?
The canonical SMILES for ethane;N,N,N'-trimethyl-N'-[[2-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-3-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-4-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[4-(9-methylcarbazol-2-yl)benzene-6-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[4-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-5-id-1-yl]methyl]methanediamine;pentakis(yttrium) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN(C)CN(C)Cc1[c-]c(-c2[c-]c(-c3ccc4c5ccccc5n(C)c4c3)ccc2)ccc1.CN(C)CN(C)Cc1[c-]c(-c2[c-]cc(-c3ccc4c5ccccc5n(C)c4c3)cc2)ccc1.CN(C)CN(C)Cc1c[c-]c(-c2[c-]c(-c3ccc4c5ccccc5n(C)c4c3)ccc2)cc1.CN(C)CN(C)Cc1cc[c-]c(-c2[c-]c(-c3ccc4c5ccccc5n(C)c4c3)ccc2)c1.CN(C)CN(C)Cc1ccc[c-]c1-c1[c-]c(-c2ccc3c4ccccc4n(C)c3c2)ccc1.[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of ethane;N,N,N'-trimethyl-N'-[[2-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-3-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-4-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[4-(9-methylcarbazol-2-yl)benzene-6-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[4-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-5-id-1-yl]methyl]methanediamine;pentakis(yttrium)?
The InChIKey is OZKOZSXGRLDZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/5C30H29N3.20C2H6.5Y/c2*1-31(2)21-32(3)20-22-9-7-10-23(17-22)24-11-8-12-25(18-24)26-15-16-28-27-13-5-6-14-29(27)33(4)30(28)19-26;1-31(2)21-32(3)20-25-10-5-6-13-26(25)24-12-9-11-22(18-24)23-16-17-28-27-14-7-8-15-29(27)33(4)30(28)19-23;1-31(2)21-32(3)20-22-12-14-23(15-13-22)24-8-7-9-25(18-24)26-16-17-28-27-10-5-6-11-29(27)33(4)30(28)19-26;1-31(2)21-32(3)20-22-8-7-9-25(18-22)23-12-14-24(15-13-23)26-16-17-28-27-10-5-6-11-29(27)33(4)30(28)19-26;20*1-2;;;;;/h5-9,11-17,19H,20-21H2,1-4H3;5-16,19H,20-21H2,1-4H3;5-12,14-17,19H,20-21H2,1-4H3;5-14,16-17,19H,20-21H2,1-4H3;5-12,14-17,19H,20-21H2,1-4H3;20*1-2H3;;;;;/q5*-2;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of ethane;N,N,N'-trimethyl-N'-[[2-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-3-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-4-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[4-(9-methylcarbazol-2-yl)benzene-6-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[4-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-5-id-1-yl]methyl]methanediamine;pentakis(yttrium)?
ethane;N,N,N'-trimethyl-N'-[[2-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-3-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-4-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[4-(9-methylcarbazol-2-yl)benzene-6-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[4-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-5-id-1-yl]methyl]methanediamine;pentakis(yttrium) has a molecular weight of 3203.84 g/mol, XLogP of 51.60, 30 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,N,N'-trimethyl-N'-[[2-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-3-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-4-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[3-[4-(9-methylcarbazol-2-yl)benzene-6-id-1-yl]benzene-2-id-1-yl]methyl]methanediamine;N,N,N'-trimethyl-N'-[[4-[3-(9-methylcarbazol-2-yl)benzene-2-id-1-yl]benzene-5-id-1-yl]methyl]methanediamine;pentakis(yttrium) is sourced from PubChem (CID 161382072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).