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

C64H44N2 — CID 170927017

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)c(-c5ccccc5)c4)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-3-16-45(17-4-1)46-30-37-52(38-31-46)65(54-41-34-50(35-42-54)56-23-9-12-27-62(56)66-63-28-13-10-24-59(63)60-25-11-14-29-64(60)66)53-39-32-47(33-40-53)51-36-43-58(61(44-51)49-18-5-2-6-19-49)57-26-15-21-48-20-7-8-22-55(48)57/h1-44H
InChIKeyFCTKGABTQXTZEU-UHFFFAOYSA-N
MW841.07 g/mol
LogP17.74
Rot. Bonds9

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

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline (PubChem CID 170927017) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline
PubChem CID170927017
Molecular FormulaC64H44N2
Molecular Weight841.07 g/mol
Exact Mass840.35
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)c(-c5ccccc5)c4)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-3-16-45(17-4-1)46-30-37-52(38-31-46)65(54-41-34-50(35-42-54)56-23-9-12-27-62(56)66-63-28-13-10-24-59(63)60-25-11-14-29-64(60)66)53-39-32-47(33-40-53)51-36-43-58(61(44-51)49-18-5-2-6-19-49)57-26-15-21-48-20-7-8-22-55(48)57/h1-44H
InChIKeyFCTKGABTQXTZEU-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-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 167322510
N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-1-yl-3-phenylphenyl)-N-phenylaniline
CID 167003310
4-(2-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 167528489
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 162491110
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 164832068
4-(2-carbazol-9-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]-N,3-diphenylaniline
CID 174310000
N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline
CID 167003908
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467769
4-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 155037999
N-[4-(2-carbazol-9-ylphenyl)-3-phenylphenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]naphthalen-2-amine
CID 174309818
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167322298
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 167322665

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline (CID 170927017) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6ccccc56)c(-c5ccccc5)c4)cc3)c3ccc(-c4ccccc4-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline?
The InChIKey is FCTKGABTQXTZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-3-16-45(17-4-1)46-30-37-52(38-31-46)65(54-41-34-50(35-42-54)56-23-9-12-27-62(56)66-63-28-13-10-24-59(63)60-25-11-14-29-64(60)66)53-39-32-47(33-40-53)51-36-43-58(61(44-51)49-18-5-2-6-19-49)57-26-15-21-48-20-7-8-22-55(48)57/h1-44H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline 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-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline is sourced from PubChem (CID 170927017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).