1,1',2,3,3',4',5,5',6,6',7,8,8'-tridecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-(1,1',2,2',3,3',4',5,6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-4-yl)-2',7'-bis(trideuteriomethyl)-9,9'-spirobi[fluorene]-4-amine

C67H47N — CID 176725692

IUPAC1,1',2,3,3',4',5,5',6,6',7,8,8'-tridecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-(1,1',2,2',3,3',4',5,6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-4-yl)-2',7'-bis(trideuteriomethyl)-9,9'-spirobi[fluorene]-4-amine
SMILES[2H]c1cc2c(c([2H])c1[2H])C1(c3c([2H])c([2H])c([2H])c([2H])c3-2)c2c([2H])c([2H])c([2H])c([2H])c2-c2c(N(c3c([2H])c([2H])c([2H])c4c3-c3c([2H])c([2H])c([2H])c([2H])c3C43c4c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c4-c4c([2H])c([2H])c(C([2H])([2H])[2H])c([2H])c43)c3c([2H])c([2H])c([2H])c4c3-c3c([2H])c([2H])c([2H])c([2H])c3C4(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c([2H])c21
InChIInChI=1S/C67H47N/c1-40-34-36-44-45-37-35-41(2)39-58(45)67(57(44)38-40)53-27-14-9-22-48(53)64-56(67)30-17-33-61(64)68(59-31-15-28-54-62(59)46-20-7-10-23-49(46)65(54,3)4)60-32-16-29-55-63(60)47-21-8-13-26-52(47)66(55)50-24-11-5-18-42(50)43-19-6-12-25-51(43)66/h5-39H,1-4H3/i1D3,2D3,3D3,4D3,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D
InChIKeyADABCGYSGLEVGI-BOLQGINCSA-N
MW912.40 g/mol
LogP16.77
Rot. Bonds7

About 1,1',2,3,3',4',5,5',6,6',7,8,8'-tridecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-(1,1',2,2',3,3',4',5,6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-4-yl)-2',7'-bis(trideuteriomethyl)-9,9'-spirobi[fluorene]-4-amine

1,1',2,3,3',4',5,5',6,6',7,8,8'-tridecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-(1,1',2,2',3,3',4',5,6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-4-yl)-2',7'-bis(trideuteriomethyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 176725692) has the molecular formula C67H47N and a molecular weight of 912.40 g/mol. Its IUPAC name is 1,1',2,3,3',4',5,5',6,6',7,8,8'-tridecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-(1,1',2,2',3,3',4',5,6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-4-yl)-2',7'-bis(trideuteriomethyl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound Name1,1',2,3,3',4',5,5',6,6',7,8,8'-tridecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-(1,1',2,2',3,3',4',5,6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-4-yl)-2',7'-bis(trideuteriomethyl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID176725692
Molecular FormulaC67H47N
Molecular Weight912.40 g/mol
Exact Mass911.66
IUPAC Name1,1',2,3,3',4',5,5',6,6',7,8,8'-tridecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-(1,1',2,2',3,3',4',5,6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-4-yl)-2',7'-bis(trideuteriomethyl)-9,9'-spirobi[fluorene]-4-amine
SMILES[2H]c1cc2c(c([2H])c1[2H])C1(c3c([2H])c([2H])c([2H])c([2H])c3-2)c2c([2H])c([2H])c([2H])c([2H])c2-c2c(N(c3c([2H])c([2H])c([2H])c4c3-c3c([2H])c([2H])c([2H])c([2H])c3C43c4c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c4-c4c([2H])c([2H])c(C([2H])([2H])[2H])c([2H])c43)c3c([2H])c([2H])c([2H])c4c3-c3c([2H])c([2H])c([2H])c([2H])c3C4(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c([2H])c21
InChIInChI=1S/C67H47N/c1-40-34-36-44-45-37-35-41(2)39-58(45)67(57(44)38-40)53-27-14-9-22-48(53)64-56(67)30-17-33-61(64)68(59-31-15-28-54-62(59)46-20-7-10-23-49(46)65(54,3)4)60-32-16-29-55-63(60)47-21-8-13-26-52(47)66(55)50-24-11-5-18-42(50)43-19-6-12-25-51(43)66/h5-39H,1-4H3/i1D3,2D3,3D3,4D3,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D
InChIKeyADABCGYSGLEVGI-BOLQGINCSA-N
XLogP16.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.40
LogP ≤ 516.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1',2,3,3',4',5,5',6,6',7,8,8'-tridecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-(1,1',2,2',3,3',4',5,6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-4-yl)-2',7'-bis(trideuteriomethyl)-9,9'-spirobi[fluorene]-4-amine with MolForge

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Related Compounds

1,1',2,3,3',4,5,5',6,6',7,8,8'-tridecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-2',7'-bis(trideuteriomethyl)-N-[2,3,5-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,9'-spirobi[fluorene]-4'-amine
CID 176725587
1,1',2,2',3',4',5,5',6,6',7,7',8,8'-tetradecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-4-amine
CID 176725754
1,1',2,2',3,3',4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 176725639
1,1',2,2',3,3',4,5,5',6,6',7,7',8'-tetradecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuterio-N-[1,2,3,6,7,8-hexadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]anilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-4'-amine
CID 176725773
1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N,N-bis(1,1',2,2',3,3',4',5,5',6,6',7,7',8,8'-pentadecadeuterio-9,9'-spirobi[fluorene]-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 176725741
1,1',2,2',3,3',4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-[2,3,5,6-tetradeuterio-4-(1,2,4,6,7,8,9-heptadeuteriodibenzofuran-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 176725660
1,1',2,2',3,3',4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 171452642
1,1',2,2',3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,9'-spirobi[fluorene]-3-amine
CID 168750056
1,3,4,5,6,8-hexadeuterio-2-N,7-N-bis(2,3,4,5,6-pentadeuteriophenyl)-2-N,7-N-bis[2,3,4,6-tetradeuterio-5-(trideuteriomethyl)phenyl]-9,9-bis(trideuteriomethyl)fluorene-2,7-diamine
CID 102234704
1,1',2,2',3,3',4',5,6,6',7,7',8,8'-tetradecadeuterio-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,4-trideuterio-6-[1,2,3,5,6,7-hexadeuterio-9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-4-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 176725654
1,2,3,4,5,6,8-heptadeuterio-7,9,9-trimethylfluorene
CID 155619986
1,2,3,4,5,6,8-heptadeuterio-7-(1',3',4',5',6',7',8'-heptadeuteriospiro[benzo[c]fluorene-7,9'-fluorene]-2'-yl)-9,9-bis(trideuteriomethyl)xanthene
CID 177126753

Frequently Asked Questions

What is the IUPAC name of 1,1',2,3,3',4',5,5',6,6',7,8,8'-tridecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-(1,1',2,2',3,3',4',5,6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-4-yl)-2',7'-bis(trideuteriomethyl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of 1,1',2,3,3',4',5,5',6,6',7,8,8'-tridecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-(1,1',2,2',3,3',4',5,6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-4-yl)-2',7'-bis(trideuteriomethyl)-9,9'-spirobi[fluorene]-4-amine (CID 176725692) is 1,1',2,3,3',4',5,5',6,6',7,8,8'-tridecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-(1,1',2,2',3,3',4',5,6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-4-yl)-2',7'-bis(trideuteriomethyl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for 1,1',2,3,3',4',5,5',6,6',7,8,8'-tridecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-(1,1',2,2',3,3',4',5,6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-4-yl)-2',7'-bis(trideuteriomethyl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for 1,1',2,3,3',4',5,5',6,6',7,8,8'-tridecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-(1,1',2,2',3,3',4',5,6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-4-yl)-2',7'-bis(trideuteriomethyl)-9,9'-spirobi[fluorene]-4-amine is [2H]c1cc2c(c([2H])c1[2H])C1(c3c([2H])c([2H])c([2H])c([2H])c3-2)c2c([2H])c([2H])c([2H])c([2H])c2-c2c(N(c3c([2H])c([2H])c([2H])c4c3-c3c([2H])c([2H])c([2H])c([2H])c3C43c4c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c4-c4c([2H])c([2H])c(C([2H])([2H])[2H])c([2H])c43)c3c([2H])c([2H])c([2H])c4c3-c3c([2H])c([2H])c([2H])c([2H])c3C4(C([2H])([2H])[2H])C([2H])([2H])[2H])c([2H])c([2H])c([2H])c21.
What is the InChIKey of 1,1',2,3,3',4',5,5',6,6',7,8,8'-tridecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-(1,1',2,2',3,3',4',5,6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-4-yl)-2',7'-bis(trideuteriomethyl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is ADABCGYSGLEVGI-BOLQGINCSA-N. The full InChI is InChI=1S/C67H47N/c1-40-34-36-44-45-37-35-41(2)39-58(45)67(57(44)38-40)53-27-14-9-22-48(53)64-56(67)30-17-33-61(64)68(59-31-15-28-54-62(59)46-20-7-10-23-49(46)65(54,3)4)60-32-16-29-55-63(60)47-21-8-13-26-52(47)66(55)50-24-11-5-18-42(50)43-19-6-12-25-51(43)66/h5-39H,1-4H3/i1D3,2D3,3D3,4D3,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D,35D,36D,37D,38D,39D.
What are the key properties of 1,1',2,3,3',4',5,5',6,6',7,8,8'-tridecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-(1,1',2,2',3,3',4',5,6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-4-yl)-2',7'-bis(trideuteriomethyl)-9,9'-spirobi[fluorene]-4-amine?
1,1',2,3,3',4',5,5',6,6',7,8,8'-tridecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-(1,1',2,2',3,3',4',5,6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-4-yl)-2',7'-bis(trideuteriomethyl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 912.40 g/mol, XLogP of 16.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1',2,3,3',4',5,5',6,6',7,8,8'-tridecadeuterio-N-[1,2,3,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-(1,1',2,2',3,3',4',5,6,6',7,7',8,8'-tetradecadeuterio-9,9'-spirobi[fluorene]-4-yl)-2',7'-bis(trideuteriomethyl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 176725692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).