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

C56H44N2 — CID 170297506

IUPACN-(4-tert-butylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c2ccccc2-c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C56H44N2/c1-56(2,3)41-35-37-43(38-36-41)57(51-32-13-10-25-45(51)48-29-17-22-40-21-16-28-44(54(40)48)39-19-6-4-7-20-39)52-33-14-11-26-46(52)49-30-18-31-50-47-27-12-15-34-53(47)58(55(49)50)42-23-8-5-9-24-42/h4-38H,1-3H3
InChIKeyRYOQMALSRPLLEM-UHFFFAOYSA-N
MW744.98 g/mol
LogP15.71
Rot. Bonds7

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

N-(4-tert-butylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (PubChem CID 170297506) has the molecular formula C56H44N2 and a molecular weight of 744.98 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
PubChem CID170297506
Molecular FormulaC56H44N2
Molecular Weight744.98 g/mol
Exact Mass744.35
IUPAC NameN-(4-tert-butylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
SMILESCC(C)(C)c1ccc(N(c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c2ccccc2-c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C56H44N2/c1-56(2,3)41-35-37-43(38-36-41)57(51-32-13-10-25-45(51)48-29-17-22-40-21-16-28-44(54(40)48)39-19-6-4-7-20-39)52-33-14-11-26-46(52)49-30-18-31-50-47-27-12-15-34-53(47)58(55(49)50)42-23-8-5-9-24-42/h4-38H,1-3H3
InChIKeyRYOQMALSRPLLEM-UHFFFAOYSA-N
XLogP15.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.98
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-tert-butylphenyl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
CID 170297134
4-tert-butyl-2-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170297188
2-(4-tert-butylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170298069
N-(4-tert-butylphenyl)-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170288466
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170298333
N-(4-dibenzofuran-3-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298828
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298758
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-1-amine
CID 170300024
N-(4-tert-butylphenyl)-2-phenanthren-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170289912
2-(9,9-diphenylfluoren-4-yl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304374
N-(4-tert-butylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170298373
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170298442

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The IUPAC name of N-(4-tert-butylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline (CID 170297506) is N-(4-tert-butylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is CC(C)(C)c1ccc(N(c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c2ccccc2-c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
The InChIKey is RYOQMALSRPLLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N2/c1-56(2,3)41-35-37-43(38-36-41)57(51-32-13-10-25-45(51)48-29-17-22-40-21-16-28-44(54(40)48)39-19-6-4-7-20-39)52-33-14-11-26-46(52)49-30-18-31-50-47-27-12-15-34-53(47)58(55(49)50)42-23-8-5-9-24-42/h4-38H,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline?
N-(4-tert-butylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline has a molecular weight of 744.98 g/mol, XLogP of 15.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline is sourced from PubChem (CID 170297506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).