N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

C64H44N2 — CID 167196149

IUPACN-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-3-16-45(17-4-1)46-32-34-47(35-33-46)48-36-40-54(41-37-48)65(55-42-38-50(39-43-55)57-27-14-19-49-18-7-8-24-56(49)57)61-29-11-9-25-58(61)51-20-13-21-52(44-51)59-28-15-31-63-64(59)60-26-10-12-30-62(60)66(63)53-22-5-2-6-23-53/h1-44H
InChIKeyACDBPQHDHARFAT-UHFFFAOYSA-N
MW841.07 g/mol
LogP17.74
Rot. Bonds9

About N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline

N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 167196149) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID167196149
Molecular FormulaC64H44N2
Molecular Weight841.07 g/mol
Exact Mass840.35
IUPAC NameN-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)cc3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-3-16-45(17-4-1)46-32-34-47(35-33-46)48-36-40-54(41-37-48)65(55-42-38-50(39-43-55)57-27-14-19-49-18-7-8-24-56(49)57)61-29-11-9-25-58(61)51-20-13-21-52(44-51)59-28-15-31-63-64(59)60-26-10-12-30-62(60)66(63)53-22-5-2-6-23-53/h1-44H
InChIKeyACDBPQHDHARFAT-UHFFFAOYSA-N
XLogP17.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.07
LogP ≤ 517.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 167195982
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195242
N-phenyl-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659568
N,N-bis(4-phenylphenyl)-2-[3-[9-(4-phenylphenyl)carbazol-4-yl]phenyl]aniline
CID 167196113
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303156
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009927
N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659786
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 168835696
9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 170286785
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010104
N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 164832079

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (CID 167196149) is N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccccc4-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)cc3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is ACDBPQHDHARFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-3-16-45(17-4-1)46-32-34-47(35-33-46)48-36-40-54(41-37-48)65(55-42-38-50(39-43-55)57-27-14-19-49-18-7-8-24-56(49)57)61-29-11-9-25-58(61)51-20-13-21-52(44-51)59-28-15-31-63-64(59)60-26-10-12-30-62(60)66(63)53-22-5-2-6-23-53/h1-44H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 841.07 g/mol, XLogP of 17.74, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-2-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167196149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).