N-(4-tert-butylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline

C63H49N — CID 170291958

IUPACN-(4-tert-butylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C63H49N/c1-62(2,3)48-36-40-52(41-37-48)64(60-32-16-14-28-56(60)57-30-18-22-46-21-17-29-53(61(46)57)45-19-7-4-8-20-45)51-38-33-44(34-39-51)47-35-42-55-54-27-13-15-31-58(54)63(59(55)43-47,49-23-9-5-10-24-49)50-25-11-6-12-26-50/h4-43H,1-3H3
InChIKeyOLVGLYPUKPAESV-UHFFFAOYSA-N
MW820.09 g/mol
LogP16.97
Rot. Bonds8

About N-(4-tert-butylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline

N-(4-tert-butylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (PubChem CID 170291958) has the molecular formula C63H49N and a molecular weight of 820.09 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
PubChem CID170291958
Molecular FormulaC63H49N
Molecular Weight820.09 g/mol
Exact Mass819.39
IUPAC NameN-(4-tert-butylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc1
InChIInChI=1S/C63H49N/c1-62(2,3)48-36-40-52(41-37-48)64(60-32-16-14-28-56(60)57-30-18-22-46-21-17-29-53(61(46)57)45-19-7-4-8-20-45)51-38-33-44(34-39-51)47-35-42-55-54-27-13-15-31-58(54)63(59(55)43-47,49-23-9-5-10-24-49)50-25-11-6-12-26-50/h4-43H,1-3H3
InChIKeyOLVGLYPUKPAESV-UHFFFAOYSA-N
XLogP16.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.09
LogP ≤ 516.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-tert-butylphenyl)-2-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291967
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]aniline
CID 170293847
4-tert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291910
3,5-ditert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291584
N-(5-tert-butyl-2-phenylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170292168
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2,4-diphenylaniline
CID 170293885
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-2-amine
CID 170302086
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303578
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-[8-(3-methylphenyl)naphthalen-1-yl]phenyl]-9,9-diphenylfluoren-4-amine
CID 170303939
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 142481346
9,9-bis(4-tert-butylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]fluoren-2-amine
CID 170216975
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline
CID 146576437

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The IUPAC name of N-(4-tert-butylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (CID 170291958) is N-(4-tert-butylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is CC(C)(C)c1ccc(N(c2ccc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The InChIKey is OLVGLYPUKPAESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H49N/c1-62(2,3)48-36-40-52(41-37-48)64(60-32-16-14-28-56(60)57-30-18-22-46-21-17-29-53(61(46)57)45-19-7-4-8-20-45)51-38-33-44(34-39-51)47-35-42-55-54-27-13-15-31-58(54)63(59(55)43-47,49-23-9-5-10-24-49)50-25-11-6-12-26-50/h4-43H,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
N-(4-tert-butylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline has a molecular weight of 820.09 g/mol, XLogP of 16.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is sourced from PubChem (CID 170291958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).