2,3,4,6-tetradeuterio-N-(2,3,4,5-tetradeuteriophenyl)-N-[2,3,5-trideuterio-4-[3,4,7,9-tetradeuterio-6-(1,2,3,4,7,8-hexadeuterio-9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline

C44H31NO — CID 169022389

IUPAC2,3,4,6-tetradeuterio-N-(2,3,4,5-tetradeuteriophenyl)-N-[2,3,5-trideuterio-4-[3,4,7,9-tetradeuterio-6-(1,2,3,4,7,8-hexadeuterio-9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline
SMILES[2H]c1cc(N(c2cc([2H])c(-c3cc4c(oc5c(C6(C)c7c(ccc([2H])c7[2H])-c7c([2H])c([2H])c([2H])c([2H])c76)c([2H])cc([2H])c54)c([2H])c3[2H])c([2H])c2[2H])c2c([2H])cc([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H]
InChIInChI=1S/C44H31NO/c1-44(39-20-10-8-17-35(39)36-18-9-11-21-40(36)44)41-22-12-19-37-38-29-31(25-28-42(38)46-43(37)41)30-23-26-34(27-24-30)45(32-13-4-2-5-14-32)33-15-6-3-7-16-33/h2-29H,1H3/i2D,3D,4D,5D,6D,8D,10D,11D,13D,15D,16D,17D,19D,20D,21D,22D,23D,24D,25D,26D,28D
InChIKeyGMKIOXRAVNMXIO-YVOZPTNHSA-N
MW610.87 g/mol
LogP12.06
Rot. Bonds5

About 2,3,4,6-tetradeuterio-N-(2,3,4,5-tetradeuteriophenyl)-N-[2,3,5-trideuterio-4-[3,4,7,9-tetradeuterio-6-(1,2,3,4,7,8-hexadeuterio-9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline

2,3,4,6-tetradeuterio-N-(2,3,4,5-tetradeuteriophenyl)-N-[2,3,5-trideuterio-4-[3,4,7,9-tetradeuterio-6-(1,2,3,4,7,8-hexadeuterio-9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline (PubChem CID 169022389) has the molecular formula C44H31NO and a molecular weight of 610.87 g/mol. Its IUPAC name is 2,3,4,6-tetradeuterio-N-(2,3,4,5-tetradeuteriophenyl)-N-[2,3,5-trideuterio-4-[3,4,7,9-tetradeuterio-6-(1,2,3,4,7,8-hexadeuterio-9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline.

Molecular Properties

Compound Name2,3,4,6-tetradeuterio-N-(2,3,4,5-tetradeuteriophenyl)-N-[2,3,5-trideuterio-4-[3,4,7,9-tetradeuterio-6-(1,2,3,4,7,8-hexadeuterio-9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline
PubChem CID169022389
Molecular FormulaC44H31NO
Molecular Weight610.87 g/mol
Exact Mass610.37
IUPAC Name2,3,4,6-tetradeuterio-N-(2,3,4,5-tetradeuteriophenyl)-N-[2,3,5-trideuterio-4-[3,4,7,9-tetradeuterio-6-(1,2,3,4,7,8-hexadeuterio-9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline
SMILES[2H]c1cc(N(c2cc([2H])c(-c3cc4c(oc5c(C6(C)c7c(ccc([2H])c7[2H])-c7c([2H])c([2H])c([2H])c([2H])c76)c([2H])cc([2H])c54)c([2H])c3[2H])c([2H])c2[2H])c2c([2H])cc([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H]
InChIInChI=1S/C44H31NO/c1-44(39-20-10-8-17-35(39)36-18-9-11-21-40(36)44)41-22-12-19-37-38-29-31(25-28-42(38)46-43(37)41)30-23-26-34(27-24-30)45(32-13-4-2-5-14-32)33-15-6-3-7-16-33/h2-29H,1H3/i2D,3D,4D,5D,6D,8D,10D,11D,13D,15D,16D,17D,19D,20D,21D,22D,23D,24D,25D,26D,28D
InChIKeyGMKIOXRAVNMXIO-YVOZPTNHSA-N
XLogP12.06
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.87
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,4,6-tetradeuterio-N-(2,3,4,5-tetradeuteriophenyl)-N-[2,3,5-trideuterio-4-[3,4,7,9-tetradeuterio-6-(1,2,3,4,7,8-hexadeuterio-9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline with MolForge

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Related Compounds

1,7,8,9-tetradeuterio-4-(1,2,3,4,5,6,7,8-octadeuterio-9-methylfluoren-9-yl)-N-(2,3,4,5-tetradeuteriophenyl)-N-(2,3,5-trideuteriophenyl)dibenzofuran-3-amine
CID 169022035
1,2,3,7,8,9-hexadeuterio-N-[1,2,7,8,9-pentadeuterio-6-[1,2,4,5,7,8-hexadeuterio-9-(trideuteriomethyl)fluoren-9-yl]dibenzofuran-3-yl]-N-[2,3,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-4-amine
CID 169021952
1',2,2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 168749976
1,2,3,4,6,7,9,10-octadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-N,8-bis(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167402406
1,2,3,4,6,7,9,10-octadeuterio-N-[1,3,4,5,6,7,8-heptadeuterio-9,9-bis(trideuteriomethyl)fluoren-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]naphtho[1,2-b][1]benzofuran-8-amine
CID 167403304
2,3,6,7,8,9-hexadeuterio-N-(1,2,3,6,7,8,9-heptadeuteriodibenzothiophen-4-yl)-4-[1,2,3,4,5,6,7,8-octadeuterio-9-(trideuteriomethyl)fluoren-9-yl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-1-amine
CID 169022014
2,3,4,5,6-pentadeuterio-N-[2,3,5,6-tetradeuterio-4-(1,2,3,6,7,8,9-heptadeuteriodibenzofuran-4-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[1,2,3,4,6,7,8,10-octadeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]aniline
CID 167402524
9,9-dimethyl-N-[4-[8-(2,3,4,5,6-pentadeuteriophenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 167403290
2,3,5,6-tetradeuterio-N-[3,5-dideuterio-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)phenyl]-N-[3,5-dideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-(2,3,4,5,6,7,8-heptadeuterionaphthalen-1-yl)aniline
CID 168759250
2,3,5,6-tetradeuterio-4-(1',2',3',4',5',6',7',8'-octadeuterio-9,9'-spirobi[fluorene]-4-yl)-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 168835989
1,6,7,8,9-pentadeuterio-N-[3,5-dideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-(1,2,5,6,7,8-hexadeuterio-9,9-dimethylfluoren-4-yl)dibenzofuran-3-amine
CID 168734284
1,2,3,6,8,9,11-heptadeuterio-N-(1,2,3,6,7,8-hexadeuteriodibenzothiophen-4-yl)-5-(2,3,4,6-tetradeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5-tetradeuteriophenyl)phenyl]naphtho[2,1-b][1]benzofuran-10-amine
CID 176844358

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetradeuterio-N-(2,3,4,5-tetradeuteriophenyl)-N-[2,3,5-trideuterio-4-[3,4,7,9-tetradeuterio-6-(1,2,3,4,7,8-hexadeuterio-9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline?
The IUPAC name of 2,3,4,6-tetradeuterio-N-(2,3,4,5-tetradeuteriophenyl)-N-[2,3,5-trideuterio-4-[3,4,7,9-tetradeuterio-6-(1,2,3,4,7,8-hexadeuterio-9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline (CID 169022389) is 2,3,4,6-tetradeuterio-N-(2,3,4,5-tetradeuteriophenyl)-N-[2,3,5-trideuterio-4-[3,4,7,9-tetradeuterio-6-(1,2,3,4,7,8-hexadeuterio-9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline.
What is the SMILES notation for 2,3,4,6-tetradeuterio-N-(2,3,4,5-tetradeuteriophenyl)-N-[2,3,5-trideuterio-4-[3,4,7,9-tetradeuterio-6-(1,2,3,4,7,8-hexadeuterio-9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline?
The canonical SMILES for 2,3,4,6-tetradeuterio-N-(2,3,4,5-tetradeuteriophenyl)-N-[2,3,5-trideuterio-4-[3,4,7,9-tetradeuterio-6-(1,2,3,4,7,8-hexadeuterio-9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline is [2H]c1cc(N(c2cc([2H])c(-c3cc4c(oc5c(C6(C)c7c(ccc([2H])c7[2H])-c7c([2H])c([2H])c([2H])c([2H])c76)c([2H])cc([2H])c54)c([2H])c3[2H])c([2H])c2[2H])c2c([2H])cc([2H])c([2H])c2[2H])c([2H])c([2H])c1[2H].
What is the InChIKey of 2,3,4,6-tetradeuterio-N-(2,3,4,5-tetradeuteriophenyl)-N-[2,3,5-trideuterio-4-[3,4,7,9-tetradeuterio-6-(1,2,3,4,7,8-hexadeuterio-9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline?
The InChIKey is GMKIOXRAVNMXIO-YVOZPTNHSA-N. The full InChI is InChI=1S/C44H31NO/c1-44(39-20-10-8-17-35(39)36-18-9-11-21-40(36)44)41-22-12-19-37-38-29-31(25-28-42(38)46-43(37)41)30-23-26-34(27-24-30)45(32-13-4-2-5-14-32)33-15-6-3-7-16-33/h2-29H,1H3/i2D,3D,4D,5D,6D,8D,10D,11D,13D,15D,16D,17D,19D,20D,21D,22D,23D,24D,25D,26D,28D.
What are the key properties of 2,3,4,6-tetradeuterio-N-(2,3,4,5-tetradeuteriophenyl)-N-[2,3,5-trideuterio-4-[3,4,7,9-tetradeuterio-6-(1,2,3,4,7,8-hexadeuterio-9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline?
2,3,4,6-tetradeuterio-N-(2,3,4,5-tetradeuteriophenyl)-N-[2,3,5-trideuterio-4-[3,4,7,9-tetradeuterio-6-(1,2,3,4,7,8-hexadeuterio-9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline has a molecular weight of 610.87 g/mol, XLogP of 12.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetradeuterio-N-(2,3,4,5-tetradeuteriophenyl)-N-[2,3,5-trideuterio-4-[3,4,7,9-tetradeuterio-6-(1,2,3,4,7,8-hexadeuterio-9-methylfluoren-9-yl)dibenzofuran-2-yl]phenyl]aniline is sourced from PubChem (CID 169022389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).