N-[4-[4-benzyl-3-(2-benzylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine

C59H47N — CID 155214818

IUPACN-[4-[4-benzyl-3-(2-benzylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(Cc5ccccc5)c(-c5ccccc5Cc5ccccc5)c4)cc3)cccc21
InChIInChI=1S/C59H47N/c1-59(2)55-26-15-14-25-53(55)58-56(59)27-16-28-57(58)60(50-35-31-45(32-36-50)44-21-10-5-11-22-44)51-37-33-46(34-38-51)47-29-30-49(40-43-19-8-4-9-20-43)54(41-47)52-24-13-12-23-48(52)39-42-17-6-3-7-18-42/h3-38,41H,39-40H2,1-2H3
InChIKeyZAROAIOUNKNNJG-UHFFFAOYSA-N
MW770.03 g/mol
LogP15.65
Rot. Bonds10

About N-[4-[4-benzyl-3-(2-benzylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine

N-[4-[4-benzyl-3-(2-benzylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 155214818) has the molecular formula C59H47N and a molecular weight of 770.03 g/mol. Its IUPAC name is N-[4-[4-benzyl-3-(2-benzylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound NameN-[4-[4-benzyl-3-(2-benzylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
PubChem CID155214818
Molecular FormulaC59H47N
Molecular Weight770.03 g/mol
Exact Mass769.37
IUPAC NameN-[4-[4-benzyl-3-(2-benzylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(Cc5ccccc5)c(-c5ccccc5Cc5ccccc5)c4)cc3)cccc21
InChIInChI=1S/C59H47N/c1-59(2)55-26-15-14-25-53(55)58-56(59)27-16-28-57(58)60(50-35-31-45(32-36-50)44-21-10-5-11-22-44)51-37-33-46(34-38-51)47-29-30-49(40-43-19-8-4-9-20-43)54(41-47)52-24-13-12-23-48(52)39-42-17-6-3-7-18-42/h3-38,41H,39-40H2,1-2H3
InChIKeyZAROAIOUNKNNJG-UHFFFAOYSA-N
XLogP15.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.03
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-4-amine
CID 90294553
N-[4-[4-(1,3-diphenylpropyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 123648754
N-(9,9-dimethylfluoren-4-yl)-N-[4-(2,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 135271121
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019813
N-(3,4-dimethylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 142515720
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-4-amine
CID 138461967
N-[3-(3-fluoranthen-8-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 139499112
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169019716
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-4-amine
CID 168789453
N-(2,4-dinaphthalen-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 155181697
9,9-dimethyl-N-(4-naphthalen-1-yl-2,6-diphenylphenyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 155181943
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 155181875

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-benzyl-3-(2-benzylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The IUPAC name of N-[4-[4-benzyl-3-(2-benzylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine (CID 155214818) is N-[4-[4-benzyl-3-(2-benzylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for N-[4-[4-benzyl-3-(2-benzylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The canonical SMILES for N-[4-[4-benzyl-3-(2-benzylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(Cc5ccccc5)c(-c5ccccc5Cc5ccccc5)c4)cc3)cccc21.
What is the InChIKey of N-[4-[4-benzyl-3-(2-benzylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
The InChIKey is ZAROAIOUNKNNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H47N/c1-59(2)55-26-15-14-25-53(55)58-56(59)27-16-28-57(58)60(50-35-31-45(32-36-50)44-21-10-5-11-22-44)51-37-33-46(34-38-51)47-29-30-49(40-43-19-8-4-9-20-43)54(41-47)52-24-13-12-23-48(52)39-42-17-6-3-7-18-42/h3-38,41H,39-40H2,1-2H3.
What are the key properties of N-[4-[4-benzyl-3-(2-benzylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine?
N-[4-[4-benzyl-3-(2-benzylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 770.03 g/mol, XLogP of 15.65, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-benzyl-3-(2-benzylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 155214818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).