N-(9,9-dimethyl-4-phenylfluoren-2-yl)-8-phenyl-N-triphenylen-2-yldibenzofuran-1-amine

C57H39NO — CID 176728899

IUPACN-(9,9-dimethyl-4-phenylfluoren-2-yl)-8-phenyl-N-triphenylen-2-yldibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3)cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4oc5ccc(-c6ccccc6)cc5c34)cc21
InChIInChI=1S/C57H39NO/c1-57(2)50-25-14-13-24-46(50)55-47(37-18-7-4-8-19-37)34-40(35-51(55)57)58(39-29-30-45-43-22-10-9-20-41(43)42-21-11-12-23-44(42)48(45)33-39)52-26-15-27-54-56(52)49-32-38(28-31-53(49)59-54)36-16-5-3-6-17-36/h3-35H,1-2H3
InChIKeyYRONRRXKOXOCNC-UHFFFAOYSA-N
MW753.95 g/mol
LogP16.16
Rot. Bonds5

About N-(9,9-dimethyl-4-phenylfluoren-2-yl)-8-phenyl-N-triphenylen-2-yldibenzofuran-1-amine

N-(9,9-dimethyl-4-phenylfluoren-2-yl)-8-phenyl-N-triphenylen-2-yldibenzofuran-1-amine (PubChem CID 176728899) has the molecular formula C57H39NO and a molecular weight of 753.95 g/mol. Its IUPAC name is N-(9,9-dimethyl-4-phenylfluoren-2-yl)-8-phenyl-N-triphenylen-2-yldibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-4-phenylfluoren-2-yl)-8-phenyl-N-triphenylen-2-yldibenzofuran-1-amine
PubChem CID176728899
Molecular FormulaC57H39NO
Molecular Weight753.95 g/mol
Exact Mass753.30
IUPAC NameN-(9,9-dimethyl-4-phenylfluoren-2-yl)-8-phenyl-N-triphenylen-2-yldibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3)cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4oc5ccc(-c6ccccc6)cc5c34)cc21
InChIInChI=1S/C57H39NO/c1-57(2)50-25-14-13-24-46(50)55-47(37-18-7-4-8-19-37)34-40(35-51(55)57)58(39-29-30-45-43-22-10-9-20-41(43)42-21-11-12-23-44(42)48(45)33-39)52-26-15-27-54-56(52)49-32-38(28-31-53(49)59-54)36-16-5-3-6-17-36/h3-35H,1-2H3
InChIKeyYRONRRXKOXOCNC-UHFFFAOYSA-N
XLogP16.16
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.95
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(9,9-dimethyl-4-phenylfluoren-2-yl)-N-[9-phenyl-9-(3-phenylphenyl)fluoren-4-yl]dibenzofuran-3-amine
CID 163671678
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169039822
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
N-(9,9-dimethylfluoren-4-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)dibenzofuran-1-amine
CID 138484780
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
CID 170192619
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759880
N-(9,9-dimethylfluoren-4-yl)-14-phenyl-N-(4-phenylphenyl)-19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-amine
CID 169060704
8-[2-[3-[3-(N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]phenyl]-N,N-bis(9,9-dimethylfluoren-3-yl)dibenzofuran-1-amine
CID 164934333
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177095674
9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(3-phenylphenyl)fluoren-4-amine
CID 170035242
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170139631
N-(9,9-dimethylfluoren-2-yl)-N-[2-(2-phenylphenyl)-3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 167285328

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-4-phenylfluoren-2-yl)-8-phenyl-N-triphenylen-2-yldibenzofuran-1-amine?
The IUPAC name of N-(9,9-dimethyl-4-phenylfluoren-2-yl)-8-phenyl-N-triphenylen-2-yldibenzofuran-1-amine (CID 176728899) is N-(9,9-dimethyl-4-phenylfluoren-2-yl)-8-phenyl-N-triphenylen-2-yldibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-dimethyl-4-phenylfluoren-2-yl)-8-phenyl-N-triphenylen-2-yldibenzofuran-1-amine?
The canonical SMILES for N-(9,9-dimethyl-4-phenylfluoren-2-yl)-8-phenyl-N-triphenylen-2-yldibenzofuran-1-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3)cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cccc4oc5ccc(-c6ccccc6)cc5c34)cc21.
What is the InChIKey of N-(9,9-dimethyl-4-phenylfluoren-2-yl)-8-phenyl-N-triphenylen-2-yldibenzofuran-1-amine?
The InChIKey is YRONRRXKOXOCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NO/c1-57(2)50-25-14-13-24-46(50)55-47(37-18-7-4-8-19-37)34-40(35-51(55)57)58(39-29-30-45-43-22-10-9-20-41(43)42-21-11-12-23-44(42)48(45)33-39)52-26-15-27-54-56(52)49-32-38(28-31-53(49)59-54)36-16-5-3-6-17-36/h3-35H,1-2H3.
What are the key properties of N-(9,9-dimethyl-4-phenylfluoren-2-yl)-8-phenyl-N-triphenylen-2-yldibenzofuran-1-amine?
N-(9,9-dimethyl-4-phenylfluoren-2-yl)-8-phenyl-N-triphenylen-2-yldibenzofuran-1-amine has a molecular weight of 753.95 g/mol, XLogP of 16.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-4-phenylfluoren-2-yl)-8-phenyl-N-triphenylen-2-yldibenzofuran-1-amine is sourced from PubChem (CID 176728899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).