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

C63H49N — CID 170291967

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

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

N-(4-tert-butylphenyl)-2-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (PubChem CID 170291967) has the molecular formula C63H49N and a molecular weight of 820.09 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
PubChem CID170291967
Molecular FormulaC63H49N
Molecular Weight820.09 g/mol
Exact Mass819.39
IUPAC NameN-(4-tert-butylphenyl)-2-(9,9-diphenylfluoren-2-yl)-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)cc1
InChIInChI=1S/C63H49N/c1-62(2,3)47-38-40-50(41-39-47)64(60-36-18-15-31-55(60)56-33-20-24-45-23-19-32-52(61(45)56)44-21-7-4-8-22-44)59-35-17-14-29-51(59)46-37-42-54-53-30-13-16-34-57(53)63(58(54)43-46,48-25-9-5-10-26-48)49-27-11-6-12-28-49/h4-43H,1-3H3
InChIKeyWLQQFXFKSKWRPF-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-butylphenyl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170291958
3,5-ditert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291584
4-tert-butyl-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291910
N-(5-tert-butyl-2-phenylphenyl)-9,9-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170292168
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
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2,4-diphenylaniline
CID 170293885
5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304711
N-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170288466
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
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-[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
3,5-ditert-butyl-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291554

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The IUPAC name of N-(4-tert-butylphenyl)-2-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline (CID 170291967) is N-(4-tert-butylphenyl)-2-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(9,9-diphenylfluoren-2-yl)-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)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
The InChIKey is WLQQFXFKSKWRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H49N/c1-62(2,3)47-38-40-50(41-39-47)64(60-36-18-15-31-55(60)56-33-20-24-45-23-19-32-52(61(45)56)44-21-7-4-8-22-44)59-35-17-14-29-51(59)46-37-42-54-53-30-13-16-34-57(53)63(58(54)43-46,48-25-9-5-10-26-48)49-27-11-6-12-28-49/h4-43H,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-2-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline?
N-(4-tert-butylphenyl)-2-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]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)-2-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline is sourced from PubChem (CID 170291967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).