9,9-dimethyl-N-(2-phenylphenyl)-N-[3-(3-triphenylen-1-ylphenyl)phenyl]fluoren-2-amine

C57H41N — CID 153357613

IUPAC9,9-dimethyl-N-(2-phenylphenyl)-N-[3-(3-triphenylen-1-ylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc(-c5cccc6c7ccccc7c7ccccc7c56)c4)c3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C57H41N/c1-57(2)53-31-12-10-27-49(53)50-34-33-43(37-54(50)57)58(55-32-13-11-23-44(55)38-17-4-3-5-18-38)42-22-15-20-40(36-42)39-19-14-21-41(35-39)45-29-16-30-52-48-25-7-6-24-46(48)47-26-8-9-28-51(47)56(45)52/h3-37H,1-2H3
InChIKeyWSXDASSAXLCDFA-UHFFFAOYSA-N
MW739.96 g/mol
LogP15.92
Rot. Bonds6

About 9,9-dimethyl-N-(2-phenylphenyl)-N-[3-(3-triphenylen-1-ylphenyl)phenyl]fluoren-2-amine

9,9-dimethyl-N-(2-phenylphenyl)-N-[3-(3-triphenylen-1-ylphenyl)phenyl]fluoren-2-amine (PubChem CID 153357613) has the molecular formula C57H41N and a molecular weight of 739.96 g/mol. Its IUPAC name is 9,9-dimethyl-N-(2-phenylphenyl)-N-[3-(3-triphenylen-1-ylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(2-phenylphenyl)-N-[3-(3-triphenylen-1-ylphenyl)phenyl]fluoren-2-amine
PubChem CID153357613
Molecular FormulaC57H41N
Molecular Weight739.96 g/mol
Exact Mass739.32
IUPAC Name9,9-dimethyl-N-(2-phenylphenyl)-N-[3-(3-triphenylen-1-ylphenyl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc(-c5cccc6c7ccccc7c7ccccc7c56)c4)c3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C57H41N/c1-57(2)53-31-12-10-27-49(53)50-34-33-43(37-54(50)57)58(55-32-13-11-23-44(55)38-17-4-3-5-18-38)42-22-15-20-40(36-42)39-19-14-21-41(35-39)45-29-16-30-52-48-25-7-6-24-46(48)47-26-8-9-28-51(47)56(45)52/h3-37H,1-2H3
InChIKeyWSXDASSAXLCDFA-UHFFFAOYSA-N
XLogP15.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.96
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[3-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[3-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 159146221
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167324461
9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)fluoren-3-amine;N-(3-phenanthren-9-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline;N-(3-phenanthren-9-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 158155243
9,9-dimethyl-7-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 159012836
N-(9,9-dimethylfluoren-2-yl)-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 160701303
9,9-dimethyl-N-[2-phenanthren-9-yl-3-(3-phenylphenyl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177274751
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[2-[3-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218191
9,9-dimethyl-N-[3-(2-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285489
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157078177
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 168846073
10,10-dimethyl-7-N,14-N,21-N-tris(2-phenylphenyl)-7-N,14-N,21-N-tris(3-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene-7,14,21-triamine
CID 88555704

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(2-phenylphenyl)-N-[3-(3-triphenylen-1-ylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(2-phenylphenyl)-N-[3-(3-triphenylen-1-ylphenyl)phenyl]fluoren-2-amine (CID 153357613) is 9,9-dimethyl-N-(2-phenylphenyl)-N-[3-(3-triphenylen-1-ylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(2-phenylphenyl)-N-[3-(3-triphenylen-1-ylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(2-phenylphenyl)-N-[3-(3-triphenylen-1-ylphenyl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc(-c5cccc6c7ccccc7c7ccccc7c56)c4)c3)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(2-phenylphenyl)-N-[3-(3-triphenylen-1-ylphenyl)phenyl]fluoren-2-amine?
The InChIKey is WSXDASSAXLCDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41N/c1-57(2)53-31-12-10-27-49(53)50-34-33-43(37-54(50)57)58(55-32-13-11-23-44(55)38-17-4-3-5-18-38)42-22-15-20-40(36-42)39-19-14-21-41(35-39)45-29-16-30-52-48-25-7-6-24-46(48)47-26-8-9-28-51(47)56(45)52/h3-37H,1-2H3.
What are the key properties of 9,9-dimethyl-N-(2-phenylphenyl)-N-[3-(3-triphenylen-1-ylphenyl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-(2-phenylphenyl)-N-[3-(3-triphenylen-1-ylphenyl)phenyl]fluoren-2-amine has a molecular weight of 739.96 g/mol, XLogP of 15.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(2-phenylphenyl)-N-[3-(3-triphenylen-1-ylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 153357613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).