N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]aniline

C336H226N6 — CID 160581695

IUPACN,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]aniline
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)c3ccc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c3ccc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)c([2H])c1[2H]
InChIInChI=1S/2C61H41N.3C55H37N.C49H33N/c2*1-3-13-42(14-4-1)45-27-34-50(35-28-45)62(51-36-29-46(30-37-51)43-15-5-2-6-16-43)52-38-31-47(32-39-52)44-23-25-48(26-24-44)49-33-40-56-55-19-9-12-22-59(55)61(60(56)41-49)57-20-10-7-17-53(57)54-18-8-11-21-58(54)61;2*1-3-13-38(14-4-1)40-23-30-44(31-24-40)56(45-32-25-41(26-33-45)39-15-5-2-6-16-39)46-34-27-42(28-35-46)43-29-36-50-49-19-9-12-22-53(49)55(54(50)37-43)51-20-10-7-17-47(51)48-18-8-11-21-52(48)55;1-3-13-38(14-4-1)40-27-32-45(33-28-40)56(44-15-5-2-6-16-44)46-34-29-41(30-35-46)39-23-25-42(26-24-39)43-31-36-50-49-19-9-12-22-53(49)55(54(50)37-43)51-20-10-7-17-47(51)48-18-8-11-21-52(48)55;1-3-13-34(14-4-1)35-23-28-39(29-24-35)50(38-15-5-2-6-16-38)40-30-25-36(26-31-40)37-27-32-44-43-19-9-12-22-47(43)49(48(44)33-37)45-20-10-7-17-41(45)42-18-8-11-21-46(42)49/h2*1-41H;3*1-37H;1-33H/i1D,2D,3D,4D,5D,6D,13D,14D,15D,16D;1D,3D,4D,13D,14D;1D,2D,3D,4D,5D,6D,13D,14D,15D,16D;3*1D,3D,4D,13D,14D
InChIKeyRBWGNQONBCRBLK-QZBDIJQWSA-N
MW4387.79 g/mol
LogP88.67
Rot. Bonds37

About N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]aniline

N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]aniline (PubChem CID 160581695) has the molecular formula C336H226N6 and a molecular weight of 4387.79 g/mol. Its IUPAC name is N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]aniline
PubChem CID160581695
Molecular FormulaC336H226N6
Molecular Weight4387.79 g/mol
Exact Mass4384.04
IUPAC NameN,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]aniline
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)c3ccc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c3ccc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)c([2H])c1[2H]
InChIInChI=1S/2C61H41N.3C55H37N.C49H33N/c2*1-3-13-42(14-4-1)45-27-34-50(35-28-45)62(51-36-29-46(30-37-51)43-15-5-2-6-16-43)52-38-31-47(32-39-52)44-23-25-48(26-24-44)49-33-40-56-55-19-9-12-22-59(55)61(60(56)41-49)57-20-10-7-17-53(57)54-18-8-11-21-58(54)61;2*1-3-13-38(14-4-1)40-23-30-44(31-24-40)56(45-32-25-41(26-33-45)39-15-5-2-6-16-39)46-34-27-42(28-35-46)43-29-36-50-49-19-9-12-22-53(49)55(54(50)37-43)51-20-10-7-17-47(51)48-18-8-11-21-52(48)55;1-3-13-38(14-4-1)40-27-32-45(33-28-40)56(44-15-5-2-6-16-44)46-34-29-41(30-35-46)39-23-25-42(26-24-39)43-31-36-50-49-19-9-12-22-53(49)55(54(50)37-43)51-20-10-7-17-47(51)48-18-8-11-21-52(48)55;1-3-13-34(14-4-1)35-23-28-39(29-24-35)50(38-15-5-2-6-16-38)40-30-25-36(26-31-40)37-27-32-44-43-19-9-12-22-47(43)49(48(44)33-37)45-20-10-7-17-41(45)42-18-8-11-21-46(42)49/h2*1-41H;3*1-37H;1-33H/i1D,2D,3D,4D,5D,6D,13D,14D,15D,16D;1D,3D,4D,13D,14D;1D,2D,3D,4D,5D,6D,13D,14D,15D,16D;3*1D,3D,4D,13D,14D
InChIKeyRBWGNQONBCRBLK-QZBDIJQWSA-N
XLogP88.67
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds37
Heavy Atoms342
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004387.79
LogP ≤ 588.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]aniline with MolForge

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Related Compounds

N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
2-N'-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791398
2'-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 167177680
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[2'-(N-(4-phenylphenyl)anilino)-9,9'-spirobi[fluorene]-2-yl]benzene-1,3-diamine
CID 121361274
N-[9,9-bis(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]-9-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-9-(2,3,4,5-tetradeuteriophenyl)fluoren-2-amine
CID 164783522
4-phenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline
CID 130260406
2-N'-(9,9-dimethylfluoren-2-yl)-2-N'-[4-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791446
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 138662093
2-(2,3,4,5,6-pentadeuteriophenyl)-9,9-diphenylfluorene
CID 164783545
2-N'-(9,9-diphenylfluoren-4-yl)-2-N'-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-N,2-N-diphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791267

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]aniline?
The IUPAC name of N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]aniline (CID 160581695) is N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]aniline.
What is the SMILES notation for N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]aniline?
The canonical SMILES for N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]aniline is [2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)c3ccc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)c3ccc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc3)cc2)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3)cc2)c([2H])c1[2H].
What is the InChIKey of N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]aniline?
The InChIKey is RBWGNQONBCRBLK-QZBDIJQWSA-N. The full InChI is InChI=1S/2C61H41N.3C55H37N.C49H33N/c2*1-3-13-42(14-4-1)45-27-34-50(35-28-45)62(51-36-29-46(30-37-51)43-15-5-2-6-16-43)52-38-31-47(32-39-52)44-23-25-48(26-24-44)49-33-40-56-55-19-9-12-22-59(55)61(60(56)41-49)57-20-10-7-17-53(57)54-18-8-11-21-58(54)61;2*1-3-13-38(14-4-1)40-23-30-44(31-24-40)56(45-32-25-41(26-33-45)39-15-5-2-6-16-39)46-34-27-42(28-35-46)43-29-36-50-49-19-9-12-22-53(49)55(54(50)37-43)51-20-10-7-17-47(51)48-18-8-11-21-52(48)55;1-3-13-38(14-4-1)40-27-32-45(33-28-40)56(44-15-5-2-6-16-44)46-34-29-41(30-35-46)39-23-25-42(26-24-39)43-31-36-50-49-19-9-12-22-53(49)55(54(50)37-43)51-20-10-7-17-47(51)48-18-8-11-21-52(48)55;1-3-13-34(14-4-1)35-23-28-39(29-24-35)50(38-15-5-2-6-16-38)40-30-25-36(26-31-40)37-27-32-44-43-19-9-12-22-47(43)49(48(44)33-37)45-20-10-7-17-41(45)42-18-8-11-21-46(42)49/h2*1-41H;3*1-37H;1-33H/i1D,2D,3D,4D,5D,6D,13D,14D,15D,16D;1D,3D,4D,13D,14D;1D,2D,3D,4D,5D,6D,13D,14D,15D,16D;3*1D,3D,4D,13D,14D.
What are the key properties of N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]aniline?
N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]aniline has a molecular weight of 4387.79 g/mol, XLogP of 88.67, 37 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N,N-bis[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-phenyl-4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-N-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 160581695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).