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

C69H53N — CID 170291910

IUPAC4-tert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(N(c2ccccc2-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c(-c2ccccc2)c1
InChIInChI=1S/C69H53N/c1-68(2,3)54-43-45-66(61(47-54)49-26-10-5-11-27-49)70(65-41-21-18-36-59(65)60-38-23-29-50-28-22-37-56(67(50)60)48-24-8-4-9-25-48)64-40-20-17-34-55(64)51-42-44-58-57-35-16-19-39-62(57)69(63(58)46-51,52-30-12-6-13-31-52)53-32-14-7-15-33-53/h4-47H,1-3H3
InChIKeyDVAYYUUNMAKPFD-UHFFFAOYSA-N
MW896.19 g/mol
LogP18.64
Rot. Bonds9

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

4-tert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170291910) has the molecular formula C69H53N and a molecular weight of 896.19 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170291910
Molecular FormulaC69H53N
Molecular Weight896.19 g/mol
Exact Mass895.42
IUPAC Name4-tert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
SMILESCC(C)(C)c1ccc(N(c2ccccc2-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c(-c2ccccc2)c1
InChIInChI=1S/C69H53N/c1-68(2,3)54-43-45-66(61(47-54)49-26-10-5-11-27-49)70(65-41-21-18-36-59(65)60-38-23-29-50-28-22-37-56(67(50)60)48-24-8-4-9-25-48)64-40-20-17-34-55(64)51-42-44-58-57-35-16-19-39-62(57)69(63(58)46-51,52-30-12-6-13-31-52)53-32-14-7-15-33-53/h4-47H,1-3H3
InChIKeyDVAYYUUNMAKPFD-UHFFFAOYSA-N
XLogP18.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.19
LogP ≤ 518.64
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
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2,4-diphenylaniline
CID 170293885
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-(4-tert-butylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170291958
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 170304007
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
2',7'-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170304818
4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170288386
3,5-ditert-butyl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291554
5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304711
4-tert-butyl-N-(2-phenanthren-1-ylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170289851

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of 4-tert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170291910) is 4-tert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for 4-tert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for 4-tert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is CC(C)(C)c1ccc(N(c2ccccc2-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c(-c2ccccc2)c1.
What is the InChIKey of 4-tert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is DVAYYUUNMAKPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H53N/c1-68(2,3)54-43-45-66(61(47-54)49-26-10-5-11-27-49)70(65-41-21-18-36-59(65)60-38-23-29-50-28-22-37-56(67(50)60)48-24-8-4-9-25-48)64-40-20-17-34-55(64)51-42-44-58-57-35-16-19-39-62(57)69(63(58)46-51,52-30-12-6-13-31-52)53-32-14-7-15-33-53/h4-47H,1-3H3.
What are the key properties of 4-tert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
4-tert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline has a molecular weight of 896.19 g/mol, XLogP of 18.64, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170291910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).