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

C64H44N2 — CID 166566086

IUPACN-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-3-14-45(15-4-1)47-26-29-50(30-27-47)59-22-9-11-24-62(59)65(57-37-32-48(33-38-57)52-18-13-19-53(42-52)54-31-28-46-16-7-8-17-51(46)43-54)58-39-34-49(35-40-58)55-36-41-64-61(44-55)60-23-10-12-25-63(60)66(64)56-20-5-2-6-21-56/h1-44H
InChIKeyGLAJCQAMHNTMOT-UHFFFAOYSA-N
MW841.07 g/mol
LogP17.74
Rot. Bonds9

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

N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline (PubChem CID 166566086) has the molecular formula C64H44N2 and a molecular weight of 841.07 g/mol. Its IUPAC name is N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline
PubChem CID166566086
Molecular FormulaC64H44N2
Molecular Weight841.07 g/mol
Exact Mass840.35
IUPAC NameN-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C64H44N2/c1-3-14-45(15-4-1)47-26-29-50(30-27-47)59-22-9-11-24-62(59)65(57-37-32-48(33-38-57)52-18-13-19-53(42-52)54-31-28-46-16-7-8-17-51(46)43-54)58-39-34-49(35-40-58)55-36-41-64-61(44-55)60-23-10-12-25-63(60)66(64)56-20-5-2-6-21-56/h1-44H
InChIKeyGLAJCQAMHNTMOT-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-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303084
N-(4-naphthalen-1-ylphenyl)-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]aniline
CID 158938030
2-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline;5-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)naphthalen-1-amine;6-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 157115860
9-phenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(2-phenylphenyl)carbazol-3-amine
CID 174257832
N,N-bis(4-naphthalen-1-ylphenyl)-2-(9-phenylcarbazol-3-yl)aniline;N,N-bis(4-naphthalen-1-ylphenyl)-6-(9-phenylcarbazol-3-yl)naphthalen-2-amine;N,N-bis(4-naphthalen-1-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,N-bis(4-naphthalen-1-ylphenyl)-4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 157104879
2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;N-phenyl-6-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine;N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 158614914
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-(2-phenylphenyl)aniline
CID 166565729
N-(4-carbazol-9-ylphenyl)-4-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]aniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]aniline;N-(4-carbazol-9-ylphenyl)-N-phenyl-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158908481
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 174258182
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]-2-(2-phenylphenyl)aniline
CID 168788660
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158204517
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956515

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline (CID 166566086) is N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4cccc(-c5ccc6ccccc6c5)c4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline?
The InChIKey is GLAJCQAMHNTMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2/c1-3-14-45(15-4-1)47-26-29-50(30-27-47)59-22-9-11-24-62(59)65(57-37-32-48(33-38-57)52-18-13-19-53(42-52)54-31-28-46-16-7-8-17-51(46)43-54)58-39-34-49(35-40-58)55-36-41-64-61(44-55)60-23-10-12-25-63(60)66(64)56-20-5-2-6-21-56/h1-44H.
What are the key properties of N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline?
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)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-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)aniline is sourced from PubChem (CID 166566086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).