4-(9,9-dimethylfluoren-3-yl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline

C125H102N2 — CID 160993625

IUPAC4-(9,9-dimethylfluoren-3-yl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C5(C)C)cc3)c3ccc(-c4ccccc4-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)cc2)c([2H])c1[2H].c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)cc2)cc1
InChIInChI=1S/C67H55N.C58H47N/c1-66(2)62-18-10-8-16-58(62)60-41-49(26-34-63(60)66)47-22-30-54(31-23-47)68(53-28-20-46(21-29-53)45-12-4-3-5-13-45)55-32-24-48(25-33-55)56-14-6-7-15-57(56)50-27-35-65-61(42-50)59-17-9-11-19-64(59)67(65)51-37-43-36-44(39-51)40-52(67)38-43;1-3-11-41(12-4-1)43-19-26-49(27-20-43)59(50-28-21-44(22-29-50)42-13-5-2-6-14-42)51-30-23-45(24-31-51)52-15-7-8-16-53(52)46-25-32-57-55(38-46)54-17-9-10-18-56(54)58(57)47-34-39-33-40(36-47)37-48(58)35-39/h3-35,41-44,51-52H,36-40H2,1-2H3;1-32,38-40,47-48H,33-37H2/i3D,4D,5D,12D,13D;
InChIKeyTUYLBKMYGIJRSP-RCVIOHEZSA-N
MW1637.24 g/mol
LogP33.40
Rot. Bonds14

About 4-(9,9-dimethylfluoren-3-yl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline

4-(9,9-dimethylfluoren-3-yl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline (PubChem CID 160993625) has the molecular formula C125H102N2 and a molecular weight of 1637.24 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-3-yl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-3-yl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline
PubChem CID160993625
Molecular FormulaC125H102N2
Molecular Weight1637.24 g/mol
Exact Mass1635.84
IUPAC Name4-(9,9-dimethylfluoren-3-yl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline
SMILES[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C5(C)C)cc3)c3ccc(-c4ccccc4-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)cc2)c([2H])c1[2H].c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)cc2)cc1
InChIInChI=1S/C67H55N.C58H47N/c1-66(2)62-18-10-8-16-58(62)60-41-49(26-34-63(60)66)47-22-30-54(31-23-47)68(53-28-20-46(21-29-53)45-12-4-3-5-13-45)55-32-24-48(25-33-55)56-14-6-7-15-57(56)50-27-35-65-61(42-50)59-17-9-11-19-64(59)67(65)51-37-43-36-44(39-51)40-52(67)38-43;1-3-11-41(12-4-1)43-19-26-49(27-20-43)59(50-28-21-44(22-29-50)42-13-5-2-6-14-42)51-30-23-45(24-31-51)52-15-7-8-16-53(52)46-25-32-57-55(38-46)54-17-9-10-18-56(54)58(57)47-34-39-33-40(36-47)37-48(58)35-39/h3-35,41-44,51-52H,36-40H2,1-2H3;1-32,38-40,47-48H,33-37H2/i3D,4D,5D,12D,13D;
InChIKeyTUYLBKMYGIJRSP-RCVIOHEZSA-N
XLogP33.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001637.24
LogP ≤ 533.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(9,9-dimethylfluoren-3-yl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline with MolForge

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine
CID 156567598
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085916
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 155393680
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine
CID 156568019
3-phenyl-N,N-bis(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylaniline
CID 156573524
N-(9,9-dimethylfluoren-2-yl)-6'-phenyl-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 171736050
9,9-dimethyl-N-(4-phenylphenyl)-N-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-4-amine
CID 156567971
N-phenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567704
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]fluoren-2-amine
CID 155399652
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[3-phenyl-4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170216650
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine
CID 170085971

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-3-yl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline?
The IUPAC name of 4-(9,9-dimethylfluoren-3-yl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline (CID 160993625) is 4-(9,9-dimethylfluoren-3-yl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline.
What is the SMILES notation for 4-(9,9-dimethylfluoren-3-yl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline?
The canonical SMILES for 4-(9,9-dimethylfluoren-3-yl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline is [2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C5(C)C)cc3)c3ccc(-c4ccccc4-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)cc2)c([2H])c1[2H].c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-c4ccc5c(c4)-c4ccccc4C54C5CC6CC(C5)CC4C6)cc3)cc2)cc1.
What is the InChIKey of 4-(9,9-dimethylfluoren-3-yl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline?
The InChIKey is TUYLBKMYGIJRSP-RCVIOHEZSA-N. The full InChI is InChI=1S/C67H55N.C58H47N/c1-66(2)62-18-10-8-16-58(62)60-41-49(26-34-63(60)66)47-22-30-54(31-23-47)68(53-28-20-46(21-29-53)45-12-4-3-5-13-45)55-32-24-48(25-33-55)56-14-6-7-15-57(56)50-27-35-65-61(42-50)59-17-9-11-19-64(59)67(65)51-37-43-36-44(39-51)40-52(67)38-43;1-3-11-41(12-4-1)43-19-26-49(27-20-43)59(50-28-21-44(22-29-50)42-13-5-2-6-14-42)51-30-23-45(24-31-51)52-15-7-8-16-53(52)46-25-32-57-55(38-46)54-17-9-10-18-56(54)58(57)47-34-39-33-40(36-47)37-48(58)35-39/h3-35,41-44,51-52H,36-40H2,1-2H3;1-32,38-40,47-48H,33-37H2/i3D,4D,5D,12D,13D;.
What are the key properties of 4-(9,9-dimethylfluoren-3-yl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline?
4-(9,9-dimethylfluoren-3-yl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline has a molecular weight of 1637.24 g/mol, XLogP of 33.40, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-3-yl)-N-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(2-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)phenyl]aniline is sourced from PubChem (CID 160993625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).