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

C55H41N — CID 176725754

IUPAC1,1',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
SMILES[2H]c1cc(N(c2c([2H])c([2H])c3c(c2[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])c2c([2H])c([2H])c([2H])c([2H])c2-3)c2c([2H])c([2H])c([2H])c3c2-c2c([2H])c([2H])c([2H])c([2H])c2C3(C([2H])([2H])[2H])C([2H])([2H])[2H])c2c(c1[2H])C1(c3c([2H])c([2H])c([2H])c([2H])c3-2)c2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c([2H])c([2H])c21
InChIInChI=1S/C55H41N/c1-53(2)42-23-11-8-20-39(42)51-46(53)27-15-29-49(51)56(34-31-32-38-35-17-5-10-22-41(35)54(3,4)48(38)33-34)50-30-16-28-47-52(50)40-21-9-14-26-45(40)55(47)43-24-12-6-18-36(43)37-19-7-13-25-44(37)55/h5-33H,1-4H3/i1D3,2D3,3D3,4D3,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,31D,32D,33D
InChIKeyMWXDAVFMGXCELZ-IMXNDURESA-N
MW756.18 g/mol
LogP14.11
Rot. Bonds7

About 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

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 (PubChem CID 176725754) has the molecular formula C55H41N and a molecular weight of 756.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,1',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
PubChem CID176725754
Molecular FormulaC55H41N
Molecular Weight756.18 g/mol
Exact Mass755.57
IUPAC Name1,1',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
SMILES[2H]c1cc(N(c2c([2H])c([2H])c3c(c2[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])c2c([2H])c([2H])c([2H])c([2H])c2-3)c2c([2H])c([2H])c([2H])c3c2-c2c([2H])c([2H])c([2H])c([2H])c2C3(C([2H])([2H])[2H])C([2H])([2H])[2H])c2c(c1[2H])C1(c3c([2H])c([2H])c([2H])c([2H])c3-2)c2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c([2H])c([2H])c21
InChIInChI=1S/C55H41N/c1-53(2)42-23-11-8-20-39(42)51-46(53)27-15-29-49(51)56(34-31-32-38-35-17-5-10-22-41(35)54(3,4)48(38)33-34)50-30-16-28-47-52(50)40-21-9-14-26-45(40)55(47)43-24-12-6-18-36(43)37-19-7-13-25-44(37)55/h5-33H,1-4H3/i1D3,2D3,3D3,4D3,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,31D,32D,33D
InChIKeyMWXDAVFMGXCELZ-IMXNDURESA-N
XLogP14.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.18
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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-[2,3,4,5-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',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
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
1,1',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',2,3,3',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',3,3',4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 171452642
1,3,4,5,6,8-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
1,2,3,4,6,7,8,10-octadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)-5-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167403115
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
2,4,6,7,8,9-hexadeuterio-N-[2,3,5,6,7,8-hexadeuterio-9,9-bis(trideuteriomethyl)fluoren-4-yl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-1-amine
CID 176725657

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1cc(N(c2c([2H])c([2H])c3c(c2[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])c2c([2H])c([2H])c([2H])c([2H])c2-3)c2c([2H])c([2H])c([2H])c3c2-c2c([2H])c([2H])c([2H])c([2H])c2C3(C([2H])([2H])[2H])C([2H])([2H])[2H])c2c(c1[2H])C1(c3c([2H])c([2H])c([2H])c([2H])c3-2)c2c([2H])c([2H])c([2H])c([2H])c2-c2c([2H])c([2H])c([2H])c([2H])c21.
What is the InChIKey of 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?
The InChIKey is MWXDAVFMGXCELZ-IMXNDURESA-N. The full InChI is InChI=1S/C55H41N/c1-53(2)42-23-11-8-20-39(42)51-46(53)27-15-29-49(51)56(34-31-32-38-35-17-5-10-22-41(35)54(3,4)48(38)33-34)50-30-16-28-47-52(50)40-21-9-14-26-45(40)55(47)43-24-12-6-18-36(43)37-19-7-13-25-44(37)55/h5-33H,1-4H3/i1D3,2D3,3D3,4D3,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D,17D,18D,19D,20D,21D,22D,23D,24D,25D,26D,27D,28D,29D,31D,32D,33D.
What are the key properties of 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?
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 has a molecular weight of 756.18 g/mol, XLogP of 14.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176725754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).