N-[4-(3-carbazol-9-ylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline

C62H42N2 — CID 167234428

IUPACN-[4-(3-carbazol-9-ylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C62H42N2/c1-2-17-46(18-3-1)55-23-8-11-26-59(55)63(53-36-33-45(34-37-53)49-21-14-22-54(41-49)64-60-27-12-9-24-57(60)58-25-10-13-28-61(58)64)62-42-51(50-31-29-43-15-4-6-19-47(43)39-50)35-38-56(62)52-32-30-44-16-5-7-20-48(44)40-52/h1-42H
InChIKeyHJYFIPZKKBDBED-UHFFFAOYSA-N
MW815.03 g/mol
LogP17.23
Rot. Bonds8

About N-[4-(3-carbazol-9-ylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline

N-[4-(3-carbazol-9-ylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline (PubChem CID 167234428) has the molecular formula C62H42N2 and a molecular weight of 815.03 g/mol. Its IUPAC name is N-[4-(3-carbazol-9-ylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline
PubChem CID167234428
Molecular FormulaC62H42N2
Molecular Weight815.03 g/mol
Exact Mass814.33
IUPAC NameN-[4-(3-carbazol-9-ylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C62H42N2/c1-2-17-46(18-3-1)55-23-8-11-26-59(55)63(53-36-33-45(34-37-53)49-21-14-22-54(41-49)64-60-27-12-9-24-57(60)58-25-10-13-28-61(58)64)62-42-51(50-31-29-43-15-4-6-19-47(43)39-50)35-38-56(62)52-32-30-44-16-5-7-20-48(44)40-52/h1-42H
InChIKeyHJYFIPZKKBDBED-UHFFFAOYSA-N
XLogP17.23
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.03
LogP ≤ 517.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167234431
N-(3-carbazol-9-ylphenyl)-5-naphthalen-2-yl-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167235229
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(2-phenylphenyl)aniline
CID 166565729
N-[4-(3-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167234123
N-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenanthren-1-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167235316
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 166566086
N-[4-(2-carbazol-9-ylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167235738
N-(2-carbazol-9-ylphenyl)-2,5-dinaphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 167236432
4-(3-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578387
2,5-dinaphthalen-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(2-phenylphenyl)aniline
CID 167235748
N-(4-carbazol-9-ylphenyl)-2,5-dinaphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167233971
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322506

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline?
The IUPAC name of N-[4-(3-carbazol-9-ylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline (CID 167234428) is N-[4-(3-carbazol-9-ylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(3-carbazol-9-ylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline?
The canonical SMILES for N-[4-(3-carbazol-9-ylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline is c1ccc(-c2ccccc2N(c2ccc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-(3-carbazol-9-ylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline?
The InChIKey is HJYFIPZKKBDBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2/c1-2-17-46(18-3-1)55-23-8-11-26-59(55)63(53-36-33-45(34-37-53)49-21-14-22-54(41-49)64-60-27-12-9-24-57(60)58-25-10-13-28-61(58)64)62-42-51(50-31-29-43-15-4-6-19-47(43)39-50)35-38-56(62)52-32-30-44-16-5-7-20-48(44)40-52/h1-42H.
What are the key properties of N-[4-(3-carbazol-9-ylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline?
N-[4-(3-carbazol-9-ylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline has a molecular weight of 815.03 g/mol, XLogP of 17.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-carbazol-9-ylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline is sourced from PubChem (CID 167234428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).