2-[2-deuterio-1,1-dimethyl-2,3,3-tris(trideuteriomethyl)inden-5-yl]-6-[10,10-dimethyl-9-[6-[2,3,3-trimethyl-1,1,2-tris(trideuteriomethyl)inden-5-yl]-2-pyridinyl]anthracen-9-yl]pyridine

C55H60N2 — CID 118155099

IUPAC2-[2-deuterio-1,1-dimethyl-2,3,3-tris(trideuteriomethyl)inden-5-yl]-6-[10,10-dimethyl-9-[6-[2,3,3-trimethyl-1,1,2-tris(trideuteriomethyl)inden-5-yl]-2-pyridinyl]anthracen-9-yl]pyridine
SMILES[2H]C([2H])([2H])C1([2H])C(C)(C)c2ccc(-c3cccc(C4(c5cccc(-c6ccc7c(c6)C(C)(C)C(C)(C([2H])([2H])[2H])C7(C([2H])([2H])[2H])C([2H])([2H])[2H])n5)c5ccccc5C(C)(C)c5ccccc54)n3)cc2C1(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C55H60N2/c1-34-49(2,3)39-30-28-35(32-43(39)50(34,4)5)45-24-18-26-47(56-45)55(41-22-16-14-20-37(41)51(6,7)38-21-15-17-23-42(38)55)48-27-19-25-46(57-48)36-29-31-40-44(33-36)53(10,11)54(12,13)52(40,8)9/h14-34H,1-13H3/i1D3,4D3,5D3,8D3,9D3,12D3,34D
InChIKeyKIVPNBBAJZYOLE-OYVHWKAKSA-N
MW768.21 g/mol
LogP13.63
Rot. Bonds10

About 2-[2-deuterio-1,1-dimethyl-2,3,3-tris(trideuteriomethyl)inden-5-yl]-6-[10,10-dimethyl-9-[6-[2,3,3-trimethyl-1,1,2-tris(trideuteriomethyl)inden-5-yl]-2-pyridinyl]anthracen-9-yl]pyridine

2-[2-deuterio-1,1-dimethyl-2,3,3-tris(trideuteriomethyl)inden-5-yl]-6-[10,10-dimethyl-9-[6-[2,3,3-trimethyl-1,1,2-tris(trideuteriomethyl)inden-5-yl]-2-pyridinyl]anthracen-9-yl]pyridine (PubChem CID 118155099) has the molecular formula C55H60N2 and a molecular weight of 768.21 g/mol. Its IUPAC name is 2-[2-deuterio-1,1-dimethyl-2,3,3-tris(trideuteriomethyl)inden-5-yl]-6-[10,10-dimethyl-9-[6-[2,3,3-trimethyl-1,1,2-tris(trideuteriomethyl)inden-5-yl]-2-pyridinyl]anthracen-9-yl]pyridine.

Molecular Properties

Compound Name2-[2-deuterio-1,1-dimethyl-2,3,3-tris(trideuteriomethyl)inden-5-yl]-6-[10,10-dimethyl-9-[6-[2,3,3-trimethyl-1,1,2-tris(trideuteriomethyl)inden-5-yl]-2-pyridinyl]anthracen-9-yl]pyridine
PubChem CID118155099
Molecular FormulaC55H60N2
Molecular Weight768.21 g/mol
Exact Mass767.59
IUPAC Name2-[2-deuterio-1,1-dimethyl-2,3,3-tris(trideuteriomethyl)inden-5-yl]-6-[10,10-dimethyl-9-[6-[2,3,3-trimethyl-1,1,2-tris(trideuteriomethyl)inden-5-yl]-2-pyridinyl]anthracen-9-yl]pyridine
SMILES[2H]C([2H])([2H])C1([2H])C(C)(C)c2ccc(-c3cccc(C4(c5cccc(-c6ccc7c(c6)C(C)(C)C(C)(C([2H])([2H])[2H])C7(C([2H])([2H])[2H])C([2H])([2H])[2H])n5)c5ccccc5C(C)(C)c5ccccc54)n3)cc2C1(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChIInChI=1S/C55H60N2/c1-34-49(2,3)39-30-28-35(32-43(39)50(34,4)5)45-24-18-26-47(56-45)55(41-22-16-14-20-37(41)51(6,7)38-21-15-17-23-42(38)55)48-27-19-25-46(57-48)36-29-31-40-44(33-36)53(10,11)54(12,13)52(40,8)9/h14-34H,1-13H3/i1D3,4D3,5D3,8D3,9D3,12D3,34D
InChIKeyKIVPNBBAJZYOLE-OYVHWKAKSA-N
XLogP13.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.21
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[2-deuterio-1,1-dimethyl-2,3,3-tris(trideuteriomethyl)inden-5-yl]-6-[10,10-dimethyl-9-[6-[2,3,3-trimethyl-1,1,2-tris(trideuteriomethyl)inden-5-yl]-2-pyridinyl]anthracen-9-yl]pyridine with MolForge

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Related Compounds

2-(1,1,2,2,3,3,4-heptamethyl-4,5-dihydroinden-5-yl)-6-[9-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]fluoren-9-yl]pyridine
CID 137396596
2-(fluoromethyl)-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
CID 90076872
2-[fluoro-bis[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-2-pyridinyl]methyl]-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
CID 140676999
7,7,7',7'-tetramethyl-18,18'-spirobi[23,24-diazapentacyclo[17.3.1.12,6.18,12.113,17]hexacosa-1(23),2(26),3,5,8,10,12(25),13(24),14,16,19,21-dodecaene]
CID 58756119
2-(9,9-dimethylfluoren-2-yl)-6-[7-[7-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyridine
CID 58881225
CID 140824257
CID 140824257
2-(4-phenylphenyl)-6-[9-[6-(4-phenylphenyl)-2-pyridinyl]xanthen-9-yl]pyridine
CID 140758618
3-[6-[9-[6-(3-cyanophenyl)-2-pyridinyl]xanthen-9-yl]-2-pyridinyl]benzonitrile
CID 71261603
2-[1,1,2,2,3,3-hexakis(trideuteriomethyl)inden-5-yl]-N,N-diphenylaniline
CID 154592827
2-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylpyridine
CID 175358146
2-phenyl-6-[9-(6-phenyl-2-pyridinyl)-10H-anthracen-9-yl]pyridine
CID 71261610
2-(3,6-ditert-butyl-10-phenyl-9-pyridin-2-yl-10H-anthracen-9-yl)-6-phenylpyridine
CID 170514449

Frequently Asked Questions

What is the IUPAC name of 2-[2-deuterio-1,1-dimethyl-2,3,3-tris(trideuteriomethyl)inden-5-yl]-6-[10,10-dimethyl-9-[6-[2,3,3-trimethyl-1,1,2-tris(trideuteriomethyl)inden-5-yl]-2-pyridinyl]anthracen-9-yl]pyridine?
The IUPAC name of 2-[2-deuterio-1,1-dimethyl-2,3,3-tris(trideuteriomethyl)inden-5-yl]-6-[10,10-dimethyl-9-[6-[2,3,3-trimethyl-1,1,2-tris(trideuteriomethyl)inden-5-yl]-2-pyridinyl]anthracen-9-yl]pyridine (CID 118155099) is 2-[2-deuterio-1,1-dimethyl-2,3,3-tris(trideuteriomethyl)inden-5-yl]-6-[10,10-dimethyl-9-[6-[2,3,3-trimethyl-1,1,2-tris(trideuteriomethyl)inden-5-yl]-2-pyridinyl]anthracen-9-yl]pyridine.
What is the SMILES notation for 2-[2-deuterio-1,1-dimethyl-2,3,3-tris(trideuteriomethyl)inden-5-yl]-6-[10,10-dimethyl-9-[6-[2,3,3-trimethyl-1,1,2-tris(trideuteriomethyl)inden-5-yl]-2-pyridinyl]anthracen-9-yl]pyridine?
The canonical SMILES for 2-[2-deuterio-1,1-dimethyl-2,3,3-tris(trideuteriomethyl)inden-5-yl]-6-[10,10-dimethyl-9-[6-[2,3,3-trimethyl-1,1,2-tris(trideuteriomethyl)inden-5-yl]-2-pyridinyl]anthracen-9-yl]pyridine is [2H]C([2H])([2H])C1([2H])C(C)(C)c2ccc(-c3cccc(C4(c5cccc(-c6ccc7c(c6)C(C)(C)C(C)(C([2H])([2H])[2H])C7(C([2H])([2H])[2H])C([2H])([2H])[2H])n5)c5ccccc5C(C)(C)c5ccccc54)n3)cc2C1(C([2H])([2H])[2H])C([2H])([2H])[2H].
What is the InChIKey of 2-[2-deuterio-1,1-dimethyl-2,3,3-tris(trideuteriomethyl)inden-5-yl]-6-[10,10-dimethyl-9-[6-[2,3,3-trimethyl-1,1,2-tris(trideuteriomethyl)inden-5-yl]-2-pyridinyl]anthracen-9-yl]pyridine?
The InChIKey is KIVPNBBAJZYOLE-OYVHWKAKSA-N. The full InChI is InChI=1S/C55H60N2/c1-34-49(2,3)39-30-28-35(32-43(39)50(34,4)5)45-24-18-26-47(56-45)55(41-22-16-14-20-37(41)51(6,7)38-21-15-17-23-42(38)55)48-27-19-25-46(57-48)36-29-31-40-44(33-36)53(10,11)54(12,13)52(40,8)9/h14-34H,1-13H3/i1D3,4D3,5D3,8D3,9D3,12D3,34D.
What are the key properties of 2-[2-deuterio-1,1-dimethyl-2,3,3-tris(trideuteriomethyl)inden-5-yl]-6-[10,10-dimethyl-9-[6-[2,3,3-trimethyl-1,1,2-tris(trideuteriomethyl)inden-5-yl]-2-pyridinyl]anthracen-9-yl]pyridine?
2-[2-deuterio-1,1-dimethyl-2,3,3-tris(trideuteriomethyl)inden-5-yl]-6-[10,10-dimethyl-9-[6-[2,3,3-trimethyl-1,1,2-tris(trideuteriomethyl)inden-5-yl]-2-pyridinyl]anthracen-9-yl]pyridine has a molecular weight of 768.21 g/mol, XLogP of 13.63, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-deuterio-1,1-dimethyl-2,3,3-tris(trideuteriomethyl)inden-5-yl]-6-[10,10-dimethyl-9-[6-[2,3,3-trimethyl-1,1,2-tris(trideuteriomethyl)inden-5-yl]-2-pyridinyl]anthracen-9-yl]pyridine is sourced from PubChem (CID 118155099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).