N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine

C66H53N — CID 168802152

IUPACN-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(C(C)(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)ccc21
InChIInChI=1S/C66H53N/c1-64(2)59-27-17-15-25-55(59)57-43-52(38-40-60(57)64)67(51-36-34-50(35-37-51)66(5,48-19-8-6-9-20-48)49-21-10-7-11-22-49)62-41-33-45-18-12-13-23-53(45)63(62)46-30-28-44(29-31-46)47-32-39-56-54-24-14-16-26-58(54)65(3,4)61(56)42-47/h6-43H,1-5H3
InChIKeyTXVYKDLCDGXKQI-UHFFFAOYSA-N
MW860.16 g/mol
LogP17.61
Rot. Bonds8

About N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine

N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine (PubChem CID 168802152) has the molecular formula C66H53N and a molecular weight of 860.16 g/mol. Its IUPAC name is N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine
PubChem CID168802152
Molecular FormulaC66H53N
Molecular Weight860.16 g/mol
Exact Mass859.42
IUPAC NameN-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(C(C)(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)ccc21
InChIInChI=1S/C66H53N/c1-64(2)59-27-17-15-25-55(59)57-43-52(38-40-60(57)64)67(51-36-34-50(35-37-51)66(5,48-19-8-6-9-20-48)49-21-10-7-11-22-49)62-41-33-45-18-12-13-23-53(45)63(62)46-30-28-44(29-31-46)47-32-39-56-54-24-14-16-26-58(54)65(3,4)61(56)42-47/h6-43H,1-5H3
InChIKeyTXVYKDLCDGXKQI-UHFFFAOYSA-N
XLogP17.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.16
LogP ≤ 517.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine
CID 168802156
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
CID 168801947
N-[1-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9,9-dimethyl-N-(4-tritylphenyl)fluoren-3-amine
CID 168802159
N-[4-(4-tert-butylphenyl)-3-phenylphenyl]-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-9-methyl-9-phenylfluoren-3-amine
CID 168802239
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611732
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168802263
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802375
9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]-N-(4-tritylphenyl)fluoren-3-amine
CID 168802247
N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
CID 168802051
9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine
CID 176611821
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
CID 168802268
N-(4-tert-butyl-2-phenylnaphthalen-1-yl)-9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
CID 168802459

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine?
The IUPAC name of N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine (CID 168802152) is N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(C(C)(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3-c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)ccc21.
What is the InChIKey of N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine?
The InChIKey is TXVYKDLCDGXKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H53N/c1-64(2)59-27-17-15-25-55(59)57-43-52(38-40-60(57)64)67(51-36-34-50(35-37-51)66(5,48-19-8-6-9-20-48)49-21-10-7-11-22-49)62-41-33-45-18-12-13-23-53(45)63(62)46-30-28-44(29-31-46)47-32-39-56-54-24-14-16-26-58(54)65(3,4)61(56)42-47/h6-43H,1-5H3.
What are the key properties of N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine?
N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine has a molecular weight of 860.16 g/mol, XLogP of 17.61, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-N-[4-(1,1-diphenylethyl)phenyl]-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 168802152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).