9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine

C57H43N — CID 153357644

IUPAC9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine
SMILESCC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc(-c4ccc(-c5cccc6c7ccccc7c7ccccc7c56)cc4)cc3)c3cccc(-c4ccccc4)c3)cc21
InChIInChI=1S/C57H43N/c1-57(2)54-25-11-10-21-50(54)51-35-34-45(37-55(51)57)58(44-17-12-16-42(36-44)38-14-4-3-5-15-38)43-32-30-40(31-33-43)39-26-28-41(29-27-39)46-23-13-24-53-49-19-7-6-18-47(49)48-20-8-9-22-52(48)56(46)53/h3-10,12-24,26-37H,11,25H2,1-2H3
InChIKeyJMGGQBKEXGBBFW-UHFFFAOYSA-N
MW741.98 g/mol
LogP16.01
Rot. Bonds6

About 9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine

9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine (PubChem CID 153357644) has the molecular formula C57H43N and a molecular weight of 741.98 g/mol. Its IUPAC name is 9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine
PubChem CID153357644
Molecular FormulaC57H43N
Molecular Weight741.98 g/mol
Exact Mass741.34
IUPAC Name9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine
SMILESCC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc(-c4ccc(-c5cccc6c7ccccc7c7ccccc7c56)cc4)cc3)c3cccc(-c4ccccc4)c3)cc21
InChIInChI=1S/C57H43N/c1-57(2)54-25-11-10-21-50(54)51-35-34-45(37-55(51)57)58(44-17-12-16-42(36-44)38-14-4-3-5-15-38)43-32-30-40(31-33-43)39-26-28-41(29-27-39)46-23-13-24-53-49-19-7-6-18-47(49)48-20-8-9-22-52(48)56(46)53/h3-10,12-24,26-37H,11,25H2,1-2H3
InChIKeyJMGGQBKEXGBBFW-UHFFFAOYSA-N
XLogP16.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.98
LogP ≤ 516.01
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

9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]-7,8-dihydrofluoren-2-amine
CID 70894315
9,9-dimethyl-N-[4-(9-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-19-yl)phenyl]-N-(3-phenylphenyl)-7,8-dihydrofluoren-2-amine
CID 135163157
2-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-N,6-N,6-N-tris(9,9-dimethylfluoren-2-yl)-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89189585
N-(4-dibenzofuran-2-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-7,8-dihydrofluoren-2-amine
CID 126548375
4-[9-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline
CID 166723492
N-(4-carbazol-9-ylphenyl)-4-[4-[10-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anthracen-9-yl]phenyl]-N-phenylaniline
CID 89196839
N-[4-[4-[6-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 68546573
9,9-dimethyl-N-[4-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 176808413
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine
CID 145331604
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
N-phenyl-N-(4-phenylphenyl)-3-(3-triphenylen-1-ylphenyl)aniline
CID 153357597

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine (CID 153357644) is 9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine is CC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc(-c4ccc(-c5cccc6c7ccccc7c7ccccc7c56)cc4)cc3)c3cccc(-c4ccccc4)c3)cc21.
What is the InChIKey of 9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine?
The InChIKey is JMGGQBKEXGBBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N/c1-57(2)54-25-11-10-21-50(54)51-35-34-45(37-55(51)57)58(44-17-12-16-42(36-44)38-14-4-3-5-15-38)43-32-30-40(31-33-43)39-26-28-41(29-27-39)46-23-13-24-53-49-19-7-6-18-47(49)48-20-8-9-22-52(48)56(46)53/h3-10,12-24,26-37H,11,25H2,1-2H3.
What are the key properties of 9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine?
9,9-dimethyl-N-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine has a molecular weight of 741.98 g/mol, XLogP of 16.01, 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-(3-phenylphenyl)-N-[4-(4-triphenylen-1-ylphenyl)phenyl]-7,8-dihydrofluoren-2-amine is sourced from PubChem (CID 153357644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).