N-(4-tert-butyl-2-phenylnaphthalen-1-yl)-9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine

C57H47N — CID 168802459

IUPACN-(4-tert-butyl-2-phenylnaphthalen-1-yl)-9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
SMILESCC(C)(C)c1cc(-c2ccccc2)c(N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2ccc3ccccc3c2-c2ccc(-c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C57H47N/c1-56(2,3)52-37-48(40-20-10-7-11-21-40)55(47-26-15-14-24-45(47)52)58(43-33-34-51-49(36-43)46-25-16-17-27-50(46)57(51,4)5)53-35-32-41-22-12-13-23-44(41)54(53)42-30-28-39(29-31-42)38-18-8-6-9-19-38/h6-37H,1-5H3
InChIKeyDCPIUCXWBGRPBO-UHFFFAOYSA-N
MW746.01 g/mol
LogP16.07
Rot. Bonds6

About N-(4-tert-butyl-2-phenylnaphthalen-1-yl)-9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine

N-(4-tert-butyl-2-phenylnaphthalen-1-yl)-9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine (PubChem CID 168802459) has the molecular formula C57H47N and a molecular weight of 746.01 g/mol. Its IUPAC name is N-(4-tert-butyl-2-phenylnaphthalen-1-yl)-9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine.

Molecular Properties

Compound NameN-(4-tert-butyl-2-phenylnaphthalen-1-yl)-9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
PubChem CID168802459
Molecular FormulaC57H47N
Molecular Weight746.01 g/mol
Exact Mass745.37
IUPAC NameN-(4-tert-butyl-2-phenylnaphthalen-1-yl)-9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
SMILESCC(C)(C)c1cc(-c2ccccc2)c(N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2ccc3ccccc3c2-c2ccc(-c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C57H47N/c1-56(2,3)52-37-48(40-20-10-7-11-21-40)55(47-26-15-14-24-45(47)52)58(43-33-34-51-49(36-43)46-25-16-17-27-50(46)57(51,4)5)53-35-32-41-22-12-13-23-44(41)54(53)42-30-28-39(29-31-42)38-18-8-6-9-19-38/h6-37H,1-5H3
InChIKeyDCPIUCXWBGRPBO-UHFFFAOYSA-N
XLogP16.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.01
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
CID 168802051
N-(1-phenylnaphthalen-2-yl)-N-[10-(4-phenylphenyl)anthracen-9-yl]-9,9'-spirobi[fluorene]-3-amine
CID 166048481
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
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
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
9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]-N-(4-tritylphenyl)fluoren-3-amine
CID 168802247
N-(1-dibenzothiophen-2-ylnaphthalen-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 156522503
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1-phenylnaphthalen-2-amine
CID 156558367
N-(4-tert-butylphenyl)-N-[1-(4-dibenzothiophen-4-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168802173
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-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168802263

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-phenylnaphthalen-1-yl)-9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine?
The IUPAC name of N-(4-tert-butyl-2-phenylnaphthalen-1-yl)-9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine (CID 168802459) is N-(4-tert-butyl-2-phenylnaphthalen-1-yl)-9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine.
What is the SMILES notation for N-(4-tert-butyl-2-phenylnaphthalen-1-yl)-9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine?
The canonical SMILES for N-(4-tert-butyl-2-phenylnaphthalen-1-yl)-9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine is CC(C)(C)c1cc(-c2ccccc2)c(N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2ccc3ccccc3c2-c2ccc(-c3ccccc3)cc2)c2ccccc12.
What is the InChIKey of N-(4-tert-butyl-2-phenylnaphthalen-1-yl)-9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine?
The InChIKey is DCPIUCXWBGRPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H47N/c1-56(2,3)52-37-48(40-20-10-7-11-21-40)55(47-26-15-14-24-45(47)52)58(43-33-34-51-49(36-43)46-25-16-17-27-50(46)57(51,4)5)53-35-32-41-22-12-13-23-44(41)54(53)42-30-28-39(29-31-42)38-18-8-6-9-19-38/h6-37H,1-5H3.
What are the key properties of N-(4-tert-butyl-2-phenylnaphthalen-1-yl)-9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine?
N-(4-tert-butyl-2-phenylnaphthalen-1-yl)-9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine has a molecular weight of 746.01 g/mol, XLogP of 16.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-phenylnaphthalen-1-yl)-9,9-dimethyl-N-[1-(4-phenylphenyl)naphthalen-2-yl]fluoren-3-amine is sourced from PubChem (CID 168802459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).