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

C41H36N2 — CID 102234704

IUPAC1,3,4,5,6,8-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
SMILES[2H]c1c([2H])c([2H])c(N(c2c([2H])c([2H])c([2H])c(C([2H])([2H])[2H])c2[2H])c2c([2H])c([2H])c3c(c2[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])c2c([2H])c(N(c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c(C([2H])([2H])[2H])c4[2H])c([2H])c([2H])c2-3)c([2H])c1[2H]
InChIInChI=1S/C41H36N2/c1-29-13-11-19-33(25-29)42(31-15-7-5-8-16-31)35-21-23-37-38-24-22-36(28-40(38)41(3,4)39(37)27-35)43(32-17-9-6-10-18-32)34-20-12-14-30(2)26-34/h5-28H,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
InChIKeyYUBXDAMWVRMLOG-FSMYSFBDSA-N
MW592.97 g/mol
LogP11.55
Rot. Bonds10

About 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

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 (PubChem CID 102234704) has the molecular formula C41H36N2 and a molecular weight of 592.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,3,4,5,6,8-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
PubChem CID102234704
Molecular FormulaC41H36N2
Molecular Weight592.97 g/mol
Exact Mass592.51
IUPAC Name1,3,4,5,6,8-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
SMILES[2H]c1c([2H])c([2H])c(N(c2c([2H])c([2H])c([2H])c(C([2H])([2H])[2H])c2[2H])c2c([2H])c([2H])c3c(c2[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])c2c([2H])c(N(c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c(C([2H])([2H])[2H])c4[2H])c([2H])c([2H])c2-3)c([2H])c1[2H]
InChIInChI=1S/C41H36N2/c1-29-13-11-19-33(25-29)42(31-15-7-5-8-16-31)35-21-23-37-38-24-22-36(28-40(38)41(3,4)39(37)27-35)43(32-17-9-6-10-18-32)34-20-12-14-30(2)26-34/h5-28H,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
InChIKeyYUBXDAMWVRMLOG-FSMYSFBDSA-N
XLogP11.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.97
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
1,2,3,4,6,7,9,10-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
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
1,3,4,5,6,7,8-heptadeuterio-N-[2,3,4,6-tetradeuterio-5-(9-phenylcarbazol-3-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-9,9-bis(trideuteriomethyl)fluoren-2-amine
CID 165384050
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
1,1',2',3,3',4,4',5,5',6,6',7,7',8,8'-pentadecadeuterio-N,N-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168750125
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
1,3,4,5,6,7,8-heptadeuterio-N-[2,3,5,6-tetradeuterio-4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]-9,9-bis(trideuteriomethyl)-N-[2,3,4-trideuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]fluoren-2-amine
CID 165384071
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
1,2,3,4,5,6,8,10,11-nonadeuterio-7-methyl-N-(2,3,4,5,6-pentadeuteriophenyl)-N-[2,3,5,6-tetradeuterio-4-(1,3,4,6,7,8-hexadeuterio-5-methylnaphthalen-2-yl)phenyl]-7-(trideuteriomethyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 167711363
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',4,5,5',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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(N(c2c([2H])c([2H])c([2H])c(C([2H])([2H])[2H])c2[2H])c2c([2H])c([2H])c3c(c2[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])c2c([2H])c(N(c4c([2H])c([2H])c([2H])c([2H])c4[2H])c4c([2H])c([2H])c([2H])c(C([2H])([2H])[2H])c4[2H])c([2H])c([2H])c2-3)c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is YUBXDAMWVRMLOG-FSMYSFBDSA-N. The full InChI is InChI=1S/C41H36N2/c1-29-13-11-19-33(25-29)42(31-15-7-5-8-16-31)35-21-23-37-38-24-22-36(28-40(38)41(3,4)39(37)27-35)43(32-17-9-6-10-18-32)34-20-12-14-30(2)26-34/h5-28H,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.
What are the key properties of 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?
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 has a molecular weight of 592.97 g/mol, XLogP of 11.55, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 102234704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).